SCHEMBL3068544

SCHEMBL3068544

COc1ccc(-c2nc(C)c(C(=O)Cl)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 3/20 0.56
ALOX5 P09917 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 3/20 0.55
TARBP2 Q15633 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
PPARA Q07869 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.50
PTPN11 Q06124 1/20 0.49

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
SCHEMBL3419091 0.86 RAB9A (0.74) SMN1; SMN2MAPTALDH1A1RAB9AALOX5
SCHEMBL4741823 0.86 RAB9A (0.70) SMN1; SMN2MAPTALDH1A1RAB9AALOX5
SCHEMBL10996350 0.85 LMNA (0.58) SMN1; SMN2MAPTALDH1A1RAB9AALOX5
SCHEMBL12475206 0.84 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1RAB9AKDM4E
SCHEMBL28795980 0.83 RAB9A (0.57) SMN1; SMN2MAPTALDH1A1RAB9AKDM4E
SCHEMBL892990 0.83 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1RAB9AKDM4E
SCHEMBL5727163 0.81 ALOX5 (0.52) SMN1; SMN2MAPTALDH1A1RAB9AALOX5
SCHEMBL2085303 0.81 CDC7 (0.73) MAPTALDH1A1RAB9AKDM4ENPC1
SCHEMBL3054846 0.79 GAA (0.74) SMN1; SMN2MAPTALDH1A1RAB9AKDM4E
SCHEMBL28295659 0.78 CDC7 (0.57) SMN1; SMN2MAPTALDH1A1RAB9AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790723-B2 Thiazole derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2010-09-07 US disclosed
US-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors MERCK PATENT GMBH (DE) 2005-10-06 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-20050222160-A1 Thiazole derivatives as phosphodiesterase iv inhibitors PDE3B, PDE4B, PDE4A SMN1; SMN2 3019/4885MAPT 4552/4885ALDH1A1 1542/4885

“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.