SCHEMBL2641384

SCHEMBL2641384

CCCc1cn(Cc2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 1.00
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HRH4 Q9H3N8 2/20 0.58
HDAC1 Q13547 1/20 0.56
HSP90AB1 P08238 2/20 0.54

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
Acetic Acid SCHEMBL28328685 0.93 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL28533317 0.89 CYP19A1 (0.97) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL10044916 0.88 CYP19A1 (1.00) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL2193998 0.88 CYP19A1 (1.00) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL16206208 0.86 CYP19A1 (0.82) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL15014123 0.86 CYP19A1 (0.76) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL2194279 0.86 CYP19A1 (0.77) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL16216237 0.85 CYP19A1 (0.74) CYP19A1MAOAMAOBHSP90AB1
SCHEMBL15795458 0.83 CYP19A1 (0.71) CYP19A1MAOAMAOBNPC1RAB9A
SCHEMBL29025354 0.82 CYP19A1 (0.69) CYP19A1MAOAMAOBNPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527628-A 2011-11-04 JP claimed
WO-2010005127-A2 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-14 WO claimed
WO-2023141534-A1 AGENTS THAT TARGET TELOMERASE REVERSE TRANSCRIPTASE (TERT) FOR TREATING CANCER AND SENSITIZING CANCER CELLS TO GENOTOXIC THERAPY NORTHWESTERN UNIVERSITY (US) 2023-07-27 WO disclosed
US-9428472-B2 Methods of treating bacterial infections with 1,2-benzisothiazolinone and isoindolinone derivatives GEORGETOWN UNIVERSITY (US) 2016-08-30 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-8907105-B1 1,2,3-triazolium ionic liquids U.S. DEPARTMENT OF ENERGY (US) 2014-12-09 US disclosed
US-8906135-B1 Method of purifying a gas stream using 1,2,3-triazolium ionic liquids U.S. DEPARTMENT OF ENERGY (US) 2014-12-09 US disclosed
US-20140296310-A1 METHODS OF TREATING BACTERIAL INFECTIONS WITH 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES GEORGETOWN UNIVERSITY (US) 2014-10-02 US disclosed
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES WICHITA STATE UNIVERSITY (US) 2011-10-13 US disclosed
WO-2010005127-A2 HETEROGENEOUS COPPER NANOCATALYST AND MANUFACTURING METHODS THEREOF POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2010-01-14 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 (3 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-20140296310-A1 METHODS OF TREATING BACTERIAL INFECTIONS WITH 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES VIP, VIL1, BAK1 CYP19A1 3556/4885MAOA 3437/4885MAOB 2416/4885
US-20150259305-A1 CATALYTIC REACTION HAO2, CAT, HAAO CYP19A1 358/4885MAOA 137/4885MAOB 303/4885
US-20110251193-A1 1,2-BENZISOTHIAZOLINONE AND ISOINDOLINONE DERIVATIVES HAVCR2, ERG28, ZC3HAV1 CYP19A1 920/4885MAOA 2122/4885MAOB 2090/4885

“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.