SCHEMBL687614

SCHEMBL687614

NC(=S)Nc1cccc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MIF P14174 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALOX12 P18054 1/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 1/20 0.57
TYR P14679 1/20 0.57
TSHR P16473 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.56

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
SCHEMBL4531507 0.87 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1TP53TYR
SCHEMBL1884508 0.86 ALDH1A1 (0.73) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL5210059 0.85 KMT2A (0.62) RAB9ANPC1KMT2AMEN1CA1
Urea SCHEMBL307661 0.84 KMT2A (0.60) RAB9ANPC1KMT2AMEN1CA1
SCHEMBL5361111 0.83 CA1 (0.63) ALDH1A1RAB9ANPC1POLBKMT2A
SCHEMBL5695334 0.83 RAB9A (0.71) ALDH1A1RAB9ANPC1POLBKMT2A
SCHEMBL1185244 0.82 KMT2A (0.58) RAB9ANPC1KMT2AMEN1CA1
SCHEMBL11517562 0.82 CA1 (0.71) ALDH1A1RAB9ANPC1POLBKMT2A
SCHEMBL983433 0.81 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1POLBKMT2A
SCHEMBL23932088 0.81 KMT2A (0.66) ALDH1A1RAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232467-B Thiazole aminobenzoic acid derivative and application thereof 南华大学 2022-11-25 CN claimed
CN-109320473-B Thiazolylaminobenzamide acetic acid derivatives and uses thereof 南华大学 2022-11-22 CN claimed
CN-109456279-B Thiazolylaminobenzamide acetate derivatives and uses thereof 南华大学 2022-11-22 CN claimed
CN-111909111-B 5-alkyl thiazolamine derivative and application thereof in depression resistance 深圳市第二人民医院(深圳市转化医学研究院) 2022-07-01 CN claimed
CN-111875558-B Thiazolidine derivative and application thereof in depression resistance 深圳市第二人民医院(深圳市转化医学研究院) 2022-07-01 CN claimed
CN-113493219-A Tin dioxide quantum dot material, preparation method thereof and photoelectric device 香港理工大学深圳研究院 2021-10-12 CN claimed
CN-111909111-A 5-alkyl thiazolamine derivative and application thereof in depression resistance 深圳市第二人民医院(深圳市转化医学研究院) 2020-11-10 CN claimed
CN-111875558-A Thiazolidine derivative and application thereof in depression resistance 深圳市第二人民医院(深圳市转化医学研究院) 2020-11-03 CN claimed
US-20230263167-A1 METHOD OF PREPARING A BISMUTH SULFIDE PARTICLE CONTAINING ANTIBACTERIAL COMPOSITION IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-08-24 US disclosed
US-11700855-B2 Method for preventing or reducing growth of a microorganism on a surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-07-18 US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-109232467-B Thiazole aminobenzoic acid derivative and application thereof 南华大学 2022-11-25 CN disclosed
CN-109456279-B Thiazolylaminobenzamide acetate derivatives and uses thereof 南华大学 2022-11-22 CN disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 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 (1 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-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ALDH1A1 227/4885RAB9A 2227/4885NPC1 651/4885

“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.