SCHEMBL5209912

SCHEMBL5209912

CCOC(=O)c1sc(Cl)nc1C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
HPGD P15428 7/20 0.46
KDM4E B2RXH2 6/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 6/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
DHODH Q02127 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 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
SCHEMBL7233421 0.84 NPC1 (0.54) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL2083552 0.83 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL583558 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL7237097 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL187316 0.80 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL28049117 0.80 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL28720614 0.79 L3MBTL1 (0.55) ALDH1A1HPGDKDM4EGAAATM
SCHEMBL1505552 0.79 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL1553106 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL10820872 0.78 LMNA (0.48) ALDH1A1HPGDKDM4EGAACYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
US-4731109-A Herbicidal 2-haloacetanilides MONSANTO COMPANY (US) 1988-03-15 US disclosed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
EP-0027018-B1 PROCESS FOR THE PRODUCTION OF 2-CHLORO-4-SUBSTITUTED-5-THIAZOLECARBOXYLATES MONSANTO COMPANY (US) 1983-10-05 EP disclosed
EP-0027018-A1 Process for the production of 2-chloro-4-substituted-5-thiazolecarboxylates MONSANTO COMPANY (US) 1981-04-15 EP disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 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 (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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALDH1A1 1651/4885HPGD 958/4885KDM4E 2428/4885

“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.