SCHEMBL2175079

SCHEMBL2175079

CCc1nc(N)sc1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
NOS1 P29475 1/20 0.36
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DCK P27707 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK2 P24941 1/20 0.32

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 SCHEMBL10987975 0.98 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL10986689 0.85 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL10983683 0.85 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL14058853 0.78 CYP1A2 (0.37) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL999293 0.78 CYP1A2 (0.47) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL27734024 0.78 CYP1A2 (0.51) ALDH1A1MAPTCYP1A2HRH2HRH1
SCHEMBL9372847 0.78
SCHEMBL5157352 0.78
SCHEMBL1911605 0.76
SCHEMBL5911688 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-4277396-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYAMIDES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-07 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 ALDH1A1 525/4885MAPT 1274/4885CYP1A2 2012/4885

“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.