SCHEMBL2176289

SCHEMBL2176289

CC1=C(c2ccccc2)NC(N)S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
AKT2 P31751 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 2/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2178314 0.78 ADORA3 (0.33) ALOX5ADORA3CYP2A6CYP2B6ALDH1A1
SCHEMBL15040592 0.78 ALOX5 (0.36) ALOX5ADORA3AKT2NISCHCYP2A6
SCHEMBL31403404 0.65 ALDH1A1 (0.33) ALDH1A1KDM1AMAOBCYP3A4HSD17B10
SCHEMBL18923423 0.61 CYP2A6 (0.40) ALOX5CYP2A6CYP2B6ALDH1A1TSHR
SCHEMBL444478 0.59 ALDH1A1 (0.53) AKT2KMT2AALDH1A1HPGDNPC1
SCHEMBL22889194 0.58 KMT2A (0.47) ADORA3KMT2AALDH1A1HPGDTSHR
Biphenyl SCHEMBL1557083 0.58 ALDH1A1 (0.75) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
Biphenyl SCHEMBL27927789 0.58 ALDH1A1 (0.75) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7107009 0.57 ALDH1A1 (0.50) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL11328166 0.57 ALDH1A1 (0.42) ALOX5AKT2CYP2A6CYP2B6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALOX5 4469/4885ADORA3 2149/4885AKT2 2198/4885

“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.