SCHEMBL18236239

SCHEMBL18236239

CNc1cc(C(=O)Nc2ccccc2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CDK2 P24941 2/20 0.47
CCNA2 P20248 1/20 0.47
FLT3 P36888 1/20 0.47
CCNA1 P78396 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AHR P35869 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
KDR P35968 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL18233041 0.84 KMT2A (0.55) KMT2APOLBSMN1; SMN2CDK2CCNA2
SCHEMBL18415346 0.83 KMT2A (0.60) KMT2APOLBSMN1; SMN2CDK2CCNA2
SCHEMBL18236174 0.80 ALPL (0.41) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL18704456 0.79 KMT2A (0.60) KMT2APOLBSMN1; SMN2CDK2CCNA2
SCHEMBL23648057 0.79 CHEK1 (0.56) KMT2APOLBSMN1; SMN2CDK2CCNA2
SCHEMBL26784594 0.79 HCAR3 (0.59) KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL18407359 0.79 KMT2A (0.56) KMT2APOLBSMN1; SMN2CDK2CCNA2
SCHEMBL18415352 0.75 KMT2A (0.51) KMT2APOLBSMN1; SMN2AURKARPS6KB1
SCHEMBL5012183 0.74 NPC1 (0.55) KMT2ARAB9ANPC1ALDH1A1BDKRB1
SCHEMBL7852787 0.74 KMT2A (1.00) KMT2APOLBSMN1; SMN2CDK2CCNA2

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-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 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-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 KMT2A 2729/4885POLB 621/4885SMN1; SMN2 4775/4885

“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.