SCHEMBL5013541

SCHEMBL5013541

CCOC(=O)c1cn2c(C3=CCCCC3)c(-c3ccccc3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DHODH Q02127 3/20 0.41
AKT1 P31749 4/20 0.41
AKT2 P31751 4/20 0.41
HPGD P15428 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
PTGS2 P35354 3/20 0.40

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
SCHEMBL5013551 0.86 PTGER1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5013543 0.84 PTGS2 (0.52) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5013540 0.81 GABRA2 (0.44) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL954248 0.73 CDC7 (0.48) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL7231459 0.70 KDM4E (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5015637 0.69 PTGER1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5013553 0.68 PTGS2 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5017019 0.67 SMN1; SMN2 (0.51) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL6068636 0.65 CA12 (0.51) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5013542 0.65 GABRA2 (0.54) NPC1RAB9AALDH1A1HSD17B10HPGD

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 NPC1 448/4885RAB9A 1167/4885CYP1A2 79/4885

“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.