SCHEMBL940131

SCHEMBL940131

NC(=O)c1ccccc1CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
ADRB2 P07550 1/20 0.60
KMT2A Q03164 2/20 0.59
SIRT2 Q8IXJ6 1/20 0.57
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SCN1A P35498 4/20 0.49
SCN2A Q99250 4/20 0.49
SCN3A Q9NY46 4/20 0.49
MEN1 O00255 1/20 0.48
FOLH1 Q04609 1/20 0.47
FFAR1 O14842 1/20 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
Hydrochloric Acid SCHEMBL28193722 0.98 ALDH1A1 (0.58) ALDH1A1ADRB2KMT2ASIRT2HTT
Trifluoroacetic Acid SCHEMBL15568420 0.90 ALDH1A1 (0.51) ALDH1A1ADRB2KMT2ASIRT2HTT
SCHEMBL4735612 0.90 ALDH1A1 (0.54) ALDH1A1ADRB2KMT2ASIRT2MAPT
SCHEMBL29410986 0.89 BID (0.51) ALDH1A1ADRB2KMT2ASIRT2MAPT
SCHEMBL3376462 0.89 SIRT2 (0.50) ALDH1A1ADRB2KMT2ASIRT2MAPT
SCHEMBL11901439 0.88 SIRT2 (0.64) ALDH1A1ADRB2KMT2ASIRT2MAPT
SCHEMBL5723969 0.87 CYP19A1 (0.50) ALDH1A1ADRB2KMT2ASIRT2HTT
SCHEMBL11782261 0.86 SIRT2 (0.48) ALDH1A1ADRB2KMT2ASIRT2HTT
SCHEMBL21357052 0.86 ALDH1A1 (0.61) ALDH1A1ADRB2KMT2ASIRT2HTT
SCHEMBL4354269 0.86 KDR (0.56) ALDH1A1ADRB2KMT2ASIRT2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167556-A Thio-hydantoin androgen receptor antagonist for treating cancer 詹森药业有限公司 2019-08-23 CN claimed
CN-107624110-A Inhibitor of lysyloxidase sample 2 and application thereof 法玛克亚公司 2018-01-23 CN claimed
CN-105294597-B Benzothiazine derivatives and its synthetic method and application 华东师范大学 2017-11-24 CN claimed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP claimed
WO-2010102157-A1 MOLECULAR PREDICTORS OF BIOLOGICAL RESPONSE TO A CENPE INHIBITOR IN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-09-10 WO claimed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
CN-1333698-A Combination chemotherapy WARNER LAMBERT CO (US) 2002-01-30 CN claimed
EP-0848700-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AG (DE) 1998-06-24 EP claimed
WO-1997008135-A1 ACYLAMINOSALICYLIC ACID AMIDES AND THEIR USES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO claimed
CN-116096363-A Coronavirus proliferation method 花王株式会社 2023-05-09 CN disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 WO disclosed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-4873335-A 3-phenethyl-2-benzene-amides or aza-derivatives thereof SCHERING CORPORATION (US) 1989-10-10 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 (2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ALDH1A1 123/4885ADRB2 3735/4885KMT2A 3181/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885ADRB2 3565/4885KMT2A 2853/4885

“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.