SCHEMBL30206

SCHEMBL30206

[c]1nc(-c2ccccc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
MAPK1 P28482 3/20 0.44
NR1H4 Q96RI1 2/20 0.43
NOTUM Q6P988 2/20 0.41
GPR55 Q9Y2T6 1/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
NFKB1 P19838 5/20 0.38
NFKB2 Q00653 5/20 0.38
RELA Q04206 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TP53 P04637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL357427 0.80 MAPT (0.42) RAB9ANPC1NOTUMSMN1; SMN2NFKB1
SCHEMBL2207084 0.78 NPC1 (0.42) RAB9ANPC1MAPK1NR1H4NOTUM
SCHEMBL345759 0.78 NOTUM (0.44) RAB9ANPC1NR1H4NOTUMSMN1; SMN2
SCHEMBL345937 0.78 NPC1 (0.39) RAB9ANPC1NOTUMSMN1; SMN2POLB
SCHEMBL1435746 0.78 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5548164 0.78 RAB9A (0.49) RAB9ANPC1MAPK1SMN1; SMN2NFKB1
SCHEMBL346441 0.77 TP53 (0.43) RAB9ANPC1NOTUMSMN1; SMN2TP53
SCHEMBL5551743 0.77 IDO1 (0.45) RAB9ANPC1NOTUMSMN1; SMN2NFKB1
SCHEMBL5552048 0.74 S1PR1 (0.45) NOTUMPOLBCHUKCASP3TXNRD1
SCHEMBL5548169 0.74 NOTUM (0.41) NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists BREYE THERAPEUTICS APS (DK) 2024-02-01 US claimed
EP-4262975-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Breye Therapeutics ApS (DK) 2023-10-25 EP claimed
WO-2022129365-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2022-06-23 WO claimed
EP-4015039-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2022-06-22 EP claimed
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US claimed
EP-3126359-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2017-02-08 EP claimed
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US claimed
WO-2015150440-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
EP-0662962-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1995-07-19 EP claimed
US-5403363-A Applying to textile material for printing and dyeing; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US claimed
EP-0601439-A2 Dye mixtures containing dyes with a coupling component of the diaminopyridine type BASF Aktiengesellschaft (DE) 1994-06-15 EP claimed
WO-1994007867-A1 SUBSTITUTED PYRIMIDINES FOR CONTROL OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1994-04-14 WO claimed
EP-0582643-A1 PYRIDAZINONE ACETIC ACIDS PFIZER INC. (US) 1994-02-16 EP claimed
WO-1992017446-A2 PYRIDAZINONE ACETIC ACIDS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1992-10-15 WO claimed
EP-0275821-B1 SUBSTITUTED ALKANEDIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1992-02-26 EP claimed
US-4113937-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1978-09-12 US claimed
US-4113938-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1978-09-12 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists P2RX7, P2RX3, P2RX1 RAB9A 2782/4885NPC1 817/4885MAPK1 896/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 RAB9A 2091/4885NPC1 1879/4885MAPK1 1276/4885
US-20180327396-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 RAB9A 2378/4885NPC1 1807/4885MAPK1 747/4885
US-20160376262-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 RAB9A 2378/4885NPC1 1807/4885MAPK1 747/4885

“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.