SCHEMBL640726

SCHEMBL640726

COc1cccc(C(=N)NO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
PARP1 P09874 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26241053 0.85 PRSS1 (0.62) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL6955082 0.84 PRSS1 (0.66) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL28548430 0.84 PRSS1 (0.61) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL23682628 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL28549376 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL2698404 0.80 ALDH1A1 (0.48) PRSS1PRSS2PRSS3NPC1RAB9A
SCHEMBL12077529 0.80 NPC1 (0.68) PRSS1PRSS2PRSS3NPC1RAB9A
Hydrochloric Acid SCHEMBL28551892 0.80 PRSS1 (0.56) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL1825446 0.79 PRSS1 (0.65) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL4971524 0.79 PRSS1 (0.69) PRSS1PRSS2PRSS3CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2024-05-23 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 PRSS1 2182/4885PRSS2 1990/4885PRSS3 2727/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 PRSS1 3822/4885PRSS2 3845/4885PRSS3 3974/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B PRSS1 2254/4885PRSS2 4221/4885PRSS3 2500/4885
US-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PRSS1 1923/4885PRSS2 1672/4885PRSS3 1608/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PRSS1 1923/4885PRSS2 1672/4885PRSS3 1608/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 PRSS1 3996/4885PRSS2 4355/4885PRSS3 4357/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PRSS1 1923/4885PRSS2 1672/4885PRSS3 1608/4885
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR1B, HTR1A, HTR3B PRSS1 611/4885PRSS2 1473/4885PRSS3 1172/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 PRSS1 1923/4885PRSS2 1672/4885PRSS3 1608/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 PRSS1 2676/4885PRSS2 2626/4885PRSS3 2146/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 PRSS1 2044/4885PRSS2 1596/4885PRSS3 1423/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG PRSS1 38/4885PRSS2 49/4885PRSS3 86/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 PRSS1 1923/4885PRSS2 1672/4885PRSS3 1608/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.