SCHEMBL101875

SCHEMBL101875

COc1cccc(Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NQO2 P16083 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL358973 0.83 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL23487743 0.79 TLR8 (0.41) ALDH1A1HSP90AA1HSP90AB1LMNATLR8
SCHEMBL2848852 0.79 GAA (0.45) ALDH1A1TDP1ADRA2BPTGS1HSP90AA1
SCHEMBL3786877 0.78 KCNH2 (0.45) ALDH1A1TDP1ADRA2BPTGS1HSP90AA1
Nitrogen SCHEMBL27853237 0.78 ALDH1A1 (0.54) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL17887314 0.77 MCHR1 (0.46) ALDH1A1CA1CA2CA7CA9
SCHEMBL3791890 0.77 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1HPGDKDM4E
SCHEMBL29726496 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL78713 0.76 CA12 (0.50) ALDH1A1HSP90AA1HSP90AB1CA12CA1
SCHEMBL31607623 0.76 ALDH1A1 (0.52) ALDH1A1TDP1ADRA2BPTGS1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834152-A Vilazodone derivative V02, synthesis method thereof and application thereof in preparation of antitumor drugs 复旦大学附属肿瘤医院 2024-10-25 CN claimed
CN-113874372-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-31 CN claimed
CN-104744311-B Synthesis method of bifenazate 河北美星化工有限公司 2017-04-26 CN claimed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20250179059-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-06-05 US disclosed
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 US disclosed
US-12162870-B2 Anticancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-10 US disclosed
CN-118852213-A Pyrrole fused heterocyclic derivative and application thereof in medicine 西藏海思科制药有限公司 2024-10-29 CN disclosed
CN-118834152-A Vilazodone derivative V02, synthesis method thereof and application thereof in preparation of antitumor drugs 复旦大学附属肿瘤医院 2024-10-25 CN disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
US-4435336-A FROM ARYLAMINE AND SULFONIC ACID, OR CORRESPONDING ARYLAMMONIUM HY BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0063271-A1 Process for preparing aromatic amino-sulphonic acids BAYER AG (DE) 1982-10-27 EP disclosed
EP-0063269-A1 Process for preparing amino-arylsulphonic acids BAYER AG (DE) 1982-10-27 EP disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed
US-3954997-A MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1976-05-04 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 (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-20250179059-A1 ANTICANCER COMPOUNDS BET1, BRD4, BICRA ALDH1A1 3346/4885TDP1 2403/4885ADRA2B 3711/4885
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 ALDH1A1 4423/4885TDP1 1650/4885ADRA2B 4811/4885
US-12162870-B2 Anticancer compounds BET1, BRD4, BICRA ALDH1A1 3346/4885TDP1 2403/4885ADRA2B 3711/4885

“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.