SCHEMBL1026501

SCHEMBL1026501

O=C=Nc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.39
TRPA1 O75762 1/20 0.37
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.34
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL30298595 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CNAPRTPIK3CD
SCHEMBL2780940 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CNAPRTPIK3CD
SCHEMBL1783888 0.77 CYP3A4 (0.43) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL30520078 0.77 CYP3A4 (0.43) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL11955561 0.76
SCHEMBL17593401 0.76 MAPK1 (0.43) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL14323001 0.75 CYP3A4 (0.42) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL398915 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CTDP1MAPK1
SCHEMBL28631538 0.75 CYP3A4 (0.42) TDP1MAPK1CYP3A4TSHRTRPA1
SCHEMBL1191488 0.72 CYP3A4 (0.39) TDP1MAPK1CYP3A4TSHRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919854-B2 P2RX7 modulators in therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-03-05 US disclosed
CN-112512520-B P2RX7 modulators in therapy 国家科学研究中心 2023-10-24 CN disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
EP-3773557-A1 P2RX7 MODULATORS IN THERAPY Centre national de la recherche scientifique (FR) 2021-02-17 EP disclosed
US-20210017131-A1 P2RX7 MODULATORS IN THERAPY JUNIA (FR) 2021-01-21 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
WO-2019185868-A1 P2RX7 MODULATORS IN THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-03 WO disclosed
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
WO-2009097999-A1 ARYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
CN-101203489-A Oxindole derivatives HOFFMANN LA ROCHE (CH) 2008-06-18 CN disclosed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 US disclosed
US-4997667-A Pyridinyl compounds of N-carbamoyl-N-thiocarbamoyl- or N-amidino-glycine or beta-alanine useful as sweetening agents UNIVERSITE CLAUDE BERNARD (FR) 1991-03-05 US disclosed
EP-0321368-A1 Heterocyclic N-carbamoyl, N-thiocarbamoyl or N-amidino-aminomalonyl or -aminosuccinyl amide derivatives as sweetening agents NOFRE, Claude (FR) 1989-06-21 EP disclosed
EP-0321369-A1 Heterocyclic sweeteners derived from N-carbamoyl-, N-thiocarbamoyl or N-amidino-glycine or beta-alanine UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1989-06-21 EP 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 (7 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-20210017131-A1 P2RX7 MODULATORS IN THERAPY P2RX3, P2RX7, P2RX2 ADRA2A 113/4885ADRA2B 102/4885ADRA2C 192/4885
US-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 ADRA2A 555/4885ADRA2B 594/4885ADRA2C 329/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-11919854-B2 P2RX7 modulators in therapy P2RX7, P2RX2, P2RX1 ADRA2A 124/4885ADRA2B 116/4885ADRA2C 215/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R ADRA2A 81/4885ADRA2B 122/4885ADRA2C 133/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ADRA2A 926/4885ADRA2B 958/4885ADRA2C 623/4885

“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.