SCHEMBL18407359

SCHEMBL18407359

CC(C)(C)c1cc(C(=O)Nc2ccccc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
AURKB Q96GD4 1/20 0.48
GPR39 O43194 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL10930057 0.82 MAPT (0.46) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL18233041 0.81 KMT2A (0.55) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL18415346 0.80 KMT2A (0.60) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL18236239 0.79 KMT2A (0.59) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL11215060 0.78 SMN1; SMN2 (0.50) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL19494385 0.78 RPS6KB1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18704456 0.77 KMT2A (0.60) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL26784594 0.77 HCAR3 (0.59) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18407323 0.76 SMN1; SMN2 (0.49) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL6371053 0.76 HCAR2 (0.57) GPR39

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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 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-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 KMT2A 2231/4885NPC1 607/4885RAB9A 1332/4885

“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.