SCHEMBL302557

SCHEMBL302557

O=[C]CNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 2/20 0.42
GRM5 P41594 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KEAP1 Q14145 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL28952189 0.82 PGR (0.51) ALDH1A1TSHRHTT
SCHEMBL10997472 0.79 GRM5 (0.53) ALDH1A1MAPTCA12CA2CA9
SCHEMBL7746719 0.78 MAPT (0.58) ALDH1A1MAPTCA12CA2CA9
SCHEMBL6699454 0.76 ALDH1A1 (0.56) ALDH1A1MAPTCA12CA2CA9
SCHEMBL5914229 0.76 RPS6KA2 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL10696845 0.76 ALDH1A1 (0.48) ALDH1A1MAPTTSHRLMNACYP3A4
SCHEMBL7439011 0.76 MEN1 (0.43) ALDH1A1MAPTCA2TSHRMEN1
SCHEMBL4960970 0.76 ALDH1A1 (0.47) ALDH1A1MAPTCA12CA2CA9
SCHEMBL11770442 0.76 MAPT (0.41) ALDH1A1MAPTCA12CA2CA9
SCHEMBL7742450 0.76 ERCC1 (0.51) ALDH1A1MAPTCA12CA2LMNA

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 1213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SHANGHAI FOREFRONT PHARMACEUTICAL CO LTD (CN) 2021-05-13 US claimed
CN-106831737-B Preparation of vipatavir and derivatives thereof 上海众强药业有限公司 2020-03-17 CN claimed
EP-2681224-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2014-01-08 EP claimed
CN-102015993-B Encapsulated benefit agent UNILEVER PLC 2013-03-27 CN claimed
WO-2012117038-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-09-07 WO claimed
EP-0920527-B1 SYNTHESIS OF beta-LACTAM ANTIBACTERIALS USING SOLUBLE SIDE CHAIN ESTERS AND ENZYME ACYLASE BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP claimed
EP-1004580-B1 Imides as inhibitors of TNF alpha CELGENE CORP (US) 2006-12-20 EP claimed
CN-1268636-C Dolastatin 15 derivatives ABSF AG (DE) 2006-08-09 CN claimed
EP-1232183-B1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LAB (US) 2006-01-18 EP claimed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
EP-0000931-A1 Enzymatic cleavage of N-acyl-thienamycins MERCK & CO. INC. (US) 1979-03-07 EP claimed
US-4093625-A 6-Sulfur analogs of penicillins and cephalosporins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1978-06-06 US claimed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US claimed
US-4032521-A ANTIBIOTICS MERCK & CO., INC. (US) 1977-06-28 US claimed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 US claimed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 US claimed
US-3965098-A Intermediates for preparing cephalosporins and methods of production AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-22 US 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 (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-20210139493-A1 PREPARATION OF VELPATASVIR AND DERIVATIVE THEREOF SAMHD1, TYMP, PNP ALDH1A1 393/4885MAPT 1583/4885CA12 4642/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 ALDH1A1 1918/4885MAPT 665/4885CA12 3502/4885

“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.