SCHEMBL5017019

SCHEMBL5017019

CCOC(=O)c1cn2cc(-c3ccccc3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
TP53 P04637 3/20 0.51
THRB P10828 1/20 0.51
CDC7 O00311 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
HPGD P15428 5/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL29924707 0.90 MAPT (0.53) SMN1; SMN2TP53THRBCDC7TRPM8
SCHEMBL22117098 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TP53THRBTRPM8HPGD
SCHEMBL3059986 0.85 MAPT (0.48) SMN1; SMN2TP53THRBHPGDKDM4E
SCHEMBL27362971 0.82 HPGD (0.51) TP53HPGDNPC1ALDH1A1MEN1
SCHEMBL27362964 0.81 MAPT (0.39) SMN1; SMN2TP53THRBCDC7DBF4
SCHEMBL21760981 0.81 ALDH1A1 (0.43) SMN1; SMN2CDC7DBF4HPGDKDM4E
SCHEMBL5012213 0.81 TP53 (0.50) SMN1; SMN2TP53THRBHPGDKDM4E
SCHEMBL218618 0.79 F2RL3 (0.51) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL29925367 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TP53THRBHPGDKDM4E
SCHEMBL1035519 0.76 MAPT (0.69) SMN1; SMN2TP53THRBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP disclosed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 SMN1; SMN2 4641/4885TP53 1281/4885THRB 1159/4885

“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.