SCHEMBL331249

SCHEMBL331249

O=c1[nH]ccc2[c]cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.48
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
PARP15 Q460N3 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL2925291 0.71 PARP1 (0.42) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2411016 0.70 CYP1A2 (0.32) CYP1A2
SCHEMBL23200 0.70
SCHEMBL8116544 0.69 ALDH1A1 (0.52) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL7469415 0.69 AHR (0.37) PARP1PDPK1
SCHEMBL8114720 0.68 CCR8 (0.43) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4207621 0.68 PARP1 (0.53) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2412656 0.66 HPRT1 (0.33)
SCHEMBL57212 0.66 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL29365341 0.66 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120427-A MALT1 inhibitor and preparation method and application thereof 上海拓界生物医药科技有限公司 2023-11-24 CN claimed
WO-2022262855-A1 MALT1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2022-12-22 WO claimed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US claimed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
CN-113473971-B Pharmaceutical formulations 詹森药业有限公司 2024-07-02 CN disclosed
CN-117120427-A MALT1 inhibitor and preparation method and application thereof 上海拓界生物医药科技有限公司 2023-11-24 CN disclosed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN disclosed
WO-2022262855-A1 MALT1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2022-12-22 WO disclosed
US-20220175760-A1 PHARMACEUTICAL FORMULATIONS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 US disclosed
EP-3927324-A1 PHARMACEUTICAL FORMULATIONS Janssen Pharmaceutica NV (BE) 2021-12-29 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US 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 (9 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-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 PARP1 2539/4885ALDH1A1 2543/4885HSD17B10 1485/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES PARP1 1092/4885ALDH1A1 511/4885HSD17B10 174/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B PARP1 423/4885ALDH1A1 261/4885HSD17B10 278/4885
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL PARP1 1712/4885ALDH1A1 2560/4885HSD17B10 291/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES PARP1 1048/4885ALDH1A1 280/4885HSD17B10 177/4885
US-20220175760-A1 PHARMACEUTICAL FORMULATIONS TREH, F12, CEL PARP1 3446/4885ALDH1A1 2990/4885HSD17B10 531/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES PARP1 1092/4885ALDH1A1 511/4885HSD17B10 174/4885
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885ALDH1A1 3640/4885HSD17B10 4009/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PARP1 2539/4885ALDH1A1 2543/4885HSD17B10 1485/4885

“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.