SCHEMBL740104

SCHEMBL740104

c1ccc2[nH]c(C3CCCNC3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.56
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTR2B P41595 3/20 0.46
HPGDS O60760 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL740103 1.00 PARP1 (0.56) PARP1HTR2AHTR2CKCNH2HTR2B
SCHEMBL2514717 1.00 PARP1 (0.56) PARP1HTR2AHTR2CKCNH2HTR2B
SCHEMBL30418325 1.00 PARP1 (0.56) PARP1HTR2AHTR2CKCNH2HTR2B
Hydrochloric Acid SCHEMBL742345 0.98 PARP1 (0.55) PARP1HTR2AHTR2CKCNH2HTR2B
SCHEMBL1299363 0.91 PARP1 (0.54) PARP1HTR2B
SCHEMBL1298956 0.84 PARP1 (0.50) PARP1HTR2BNPC1RAB9A
SCHEMBL6756134 0.84 NPC1 (0.59) HTR2BPOLBNPC1RAB9A
SCHEMBL2674802 0.84 HTR2B (0.55) HTR2BPOLBNPC1RAB9A
SCHEMBL6757201 0.82 NPC1 (0.62) HTR2BPOLBNPC1RAB9A
SCHEMBL724921 0.82 NPC1 (0.62) HTR2BPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-12509465-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2025-12-30 US disclosed
US-12378463-B2 Water-based resin with elasticity for applications in cementing and subterranean structures SAUDI ARABIAN OIL COMPANY (SA) 2025-08-05 US disclosed
US-20240093081-A1 WATER-BASED RESIN WITH ELASTICITY FOR APPLICATIONS IN CEMENTING AND SUBTERRANEAN STRUCTURES SAUDI ARABIAN OIL COMPANY (SA) 2024-03-21 US disclosed
EP-3515904-B1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2024-01-17 EP disclosed
US-11795367-B2 Water-based resin with elasticity for applications in cementing and subterranean structures SAUDI ARABIAN OIL COMPANY (SA) 2023-10-24 US disclosed
US-11708522-B1 Water-based hydrogel polymer composition and methods of treating subterranean formations or cement constructions comprising contaminants SAUDI ARABIAN OIL COMPANY (SA) 2023-07-25 US disclosed
CN-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 CN disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents CENTRE LEON BERARD (FR) 2022-11-03 US disclosed
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US disclosed
WO-2010046855-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-29 WO disclosed
WO-2009100872-A1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-20 WO disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 PARP1 3497/4885HTR2A 2120/4885HTR2C 2037/4885
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA PARP1 3203/4885HTR2A 1716/4885HTR2C 2906/4885
US-12509465-B2 Benzoimidazole derivatives as anticancer agents CCAR2, MAPKAP1, BCOR PARP1 1063/4885HTR2A 3768/4885HTR2C 3142/4885
US-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use XDH, HSD11B1, HSD3B1 PARP1 3747/4885HTR2A 1493/4885HTR2C 746/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 PARP1 936/4885HTR2A 3077/4885HTR2C 2092/4885
US-20220348587-A1 Benzoimidazole Derivatives As Anticancer Agents TMBIM6, BAX, BCL2 PARP1 1435/4885HTR2A 4197/4885HTR2C 3557/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PARP1 1635/4885HTR2A 2416/4885HTR2C 1487/4885

“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.