SCHEMBL18762165

SCHEMBL18762165

COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.74
RAB9A P51151 8/20 0.74
KMT2A Q03164 4/20 0.65
RXFP1 Q9HBX9 3/20 0.65
MEN1 O00255 3/20 0.65
SMN1; SMN2 Q16637 7/20 0.64
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HPGD P15428 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
TP53 P04637 2/20 0.61
G6PD P11413 1/20 0.61
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.58
CSNK2A2 P19784 1/20 0.55
CSNK2A1 P68400 1/20 0.55
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL11385524 0.82 TP53 (0.61) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL17318577 0.79 KDM4E (0.73) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL11387946 0.78 RXFP1 (0.58) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL17318653 0.76 SMN1; SMN2 (0.75) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL28791199 0.75 KMT2A (0.68) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL29538313 0.75 KMT2A (0.68) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL17318701 0.75 CSNK2A2 (0.80) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL6848692 0.74 KMT2A (0.70) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL4954631 0.74 NPC1 (0.71) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL17725788 0.74 KDM4E (0.71) NPC1RAB9AKMT2ARXFP1MEN1

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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 NPC1 237/4885RAB9A 1296/4885KMT2A 2451/4885

“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.