SCHEMBL43650

SCHEMBL43650

Nc1ccc(CN[C]=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
EPHX2 P34913 1/20 0.39
MAOB P27338 3/20 0.38

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
SCHEMBL28849471 0.78 GFER (0.52) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7633039 0.77 ALDH1A1 (0.44) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL513191 0.77 CXCR3 (0.37) CYP3A4CA12CA1CA2CA7
SCHEMBL5221613 0.77 ESR1 (0.44) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL3306565 0.77 PYCR1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL4633460 0.77 LMNA (0.47) ALDH1A1CA2MEN1MAPTKMT2A
SCHEMBL350152 0.77 MEN1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL515532 0.77 SMN1; SMN2 (0.46) ALDH1A1HTTCA12CA1CA2
SCHEMBL1486307 0.77 LMNA (0.47) ALDH1A1CYP3A4LOXL2HTTCA1
SCHEMBL3307125 0.77 RAB9A (0.46) ALDH1A1TDP1MEN1MAPTKMT2A

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 1035 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159298-A Method for producing antibody-linker conjugates 阿拉里斯生物技术股份公司 2024-06-07 CN claimed
US-11998584-B2 Conjugate of a tubulysin analog with branched linkers HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-06-04 US claimed
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN claimed
WO-2024047172-A1 AN INTEGRIN ALPHA10 ANTIBODY DRUG CONJUGATE TARGINTA AB (SE) 2024-03-07 WO claimed
WO-2024017219-A1 TUMOR MICROENVIRONMENT-ACTIVATED CYTOKINE AND USE THEREOF 亚飞(上海)生物医药科技有限公司 2024-01-25 WO claimed
CN-117417429-A Tumor microenvironment activated cytokine and application thereof 亚飞(上海)生物医药科技有限公司 2024-01-19 CN claimed
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US claimed
US-11866496-B2 Humanized anti-CD79B antibodies and immunoconjugates and methods of use GENENTECH, INC. (US) 2024-01-09 US claimed
CN-110143999-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活英属哥伦比亚省公司 2023-12-05 CN claimed
US-20230372525-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH AMINO ACID-BASED LINKERS ARARIS BIOTECH AG (CH) 2023-11-23 US claimed
WO-2007140371-A2 ANTIBODIES AND IMMUNOCONJUGATES AND USES THEREFOR GENENTECH, INC. (US) 2007-12-06 WO claimed
EP-1791565-A2 CYSTEINE ENGINEERED ANTIBODIES AND CONJUGATES Genentech, Inc. (US) 2007-06-06 EP claimed
EP-1786838-A2 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH, INC. (US) 2007-05-23 EP claimed
US-20070092940-A1 A free cysteine amino acid is a cysteine residue which has been engineered into the parent antibody and is not part of a disulfide bridge; diagnostics and therapeutics; killing or inhibiting the proliferation of tumor cells or cancer cells GENENTECH, INC. (US) 2007-04-26 US claimed
WO-2006034488-A2 CYSTEINE ENGINEERED ANTIBODIES AND CONJUGATES GENENTECH, INC. (US) 2006-03-30 WO claimed
WO-2006029183-A2 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR GENENTECH, INC. (US) 2006-03-16 WO claimed
US-20050272118-A1 Novel composition and methods for the treatment of immune related diseases GENENTECH, INC. 2005-12-08 US claimed
US-20050106644-A1 Compositions and methods for the diagnosis and treatment of tumor GENENTECH, INC. 2005-05-19 US claimed
US-20050107595-A1 Compositions and methods for the diagnosis and treatment of tumor GENENTECH, INC. 2005-05-19 US claimed
EP-0624377-A2 Lysosomal enzyme-cleavable antitumor drug conjugates Bristol-Myers Squibb Company (US) 1994-11-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20230372525-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH AMINO ACID-BASED LINKERS SP1, GLUL, TGM2 GFER 177/4885ALDH1A1 2576/4885CYP3A4 2869/4885
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 GFER 3805/4885ALDH1A1 3075/4885CYP3A4 4756/4885
US-11998584-B2 Conjugate of a tubulysin analog with branched linkers TEKT1, TEK, CD2BP2 GFER 4344/4885ALDH1A1 4616/4885CYP3A4 4660/4885
US-11866496-B2 Humanized anti-CD79B antibodies and immunoconjugates and methods of use CD99, CD79B, CD47 GFER 3272/4885ALDH1A1 2739/4885CYP3A4 4811/4885
US-20070092940-A1 A free cysteine amino acid is a cysteine residue which has been engineered into the parent antibody and is not part of a disulfide bridge; diagnostics and therapeutics; killing or inhibiting the proliferation of tumor cells or cancer cells LNPEP, CSTB, ALB GFER 479/4885ALDH1A1 771/4885CYP3A4 2479/4885

“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.