SCHEMBL2180153

SCHEMBL2180153

CCNC(=O)Nc1nc2c(F)c(-c3csc(C=O)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ABL1 P00519 7/20 0.39
▸ AGTR1 P30556 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL1848934 0.87 ABL1 (0.40) NPC1RAB9ASMN1; SMN2ABL1AGTR1
Lithium SCHEMBL1848940 0.87 ABL1 (0.40) NPC1RAB9ASMN1; SMN2ABL1AGTR1
Lithium Ion SCHEMBL1848936 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ABL1AGTR1
SCHEMBL1844391 0.87 ABL1 (0.40) NPC1RAB9ASMN1; SMN2ABL1AGTR1
SCHEMBL1841588 0.84 — —
SCHEMBL1841659 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1843890 0.83 ABL1 (0.45) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1842825 0.83 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1
Hydrochloric Acid SCHEMBL1841244 0.83 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ABL1AGTR1
Hydrochloric Acid SCHEMBL1845022 0.83 TNIK (0.38) NPC1RAB9ASMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI NPC1 3448/4885RAB9A 3428/4885SMN1; SMN2 4463/4885

“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.

Send feedback