SCHEMBL842840

SCHEMBL842840

O=C(O)c1cc2cc[nH]c2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL30354466 1.00 HDAC6 (0.52) HDAC6GABRPGABRDGABRA1GABRB1
SCHEMBL2231485 0.86 KDM4E (0.51) HDAC6GABRPGABRDGABRA1GABRB1
SCHEMBL13778764 0.84 HDAC6 (0.48) HDAC6KDM4EALDH1A1HPGDENPP2
SCHEMBL1207795 0.84 HDAC6 (0.48) HDAC6MAOBTRPM8USP2GAA
SCHEMBL3830566 0.83 HDAC6 (0.47) HDAC6KDM4EALDH1A1HPGDENPP2
Hydrochloric Acid SCHEMBL3831639 0.83 HDAC6 (0.47) HDAC6MAOBTRPM8CTNNB1WNT3A
SCHEMBL3830369 0.80 GABRA1 (0.52) HDAC6GABRPGABRDGABRA1GABRB1
SCHEMBL5258755 0.80 MAPT (0.52) HDAC6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29721954 0.80 GABRA1 (0.52) HDAC6GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3845059 0.79 TRPM8 (0.45) HDAC6KDM4EALDH1A1HPGDENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710431-A1 SUBSTITUTED PYRROLOPYRIMIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME Aclaris Therapeutics, Inc. (US) 2020-09-23 EP claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
EP-4635954-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING Iregene Therapeutics Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024124463-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124463-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124464-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
WO-2024124464-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING 武汉睿健医药科技有限公司 2024-06-20 WO disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 CN disclosed
WO-2021062316-A1 AZAINDOLE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 WO disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 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 (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-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 HDAC6 188/4885GABRP 1155/4885GABRD 414/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 HDAC6 244/4885GABRP 836/4885GABRD 266/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 HDAC6 698/4885GABRP 2938/4885GABRD 2498/4885
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT HDAC6 535/4885GABRP 616/4885GABRD 2956/4885

“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.