SCHEMBL22402248

SCHEMBL22402248

c1ccc2c(-c3cccc4[nH]cnc34)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NFATC1 O95644 1/20 0.49
DYRK1A Q13627 1/20 0.49
ACVR1 Q04771 4/20 0.47
TGFBR1 P36897 4/20 0.43
MAPK14 Q16539 4/20 0.43
IDO1 P14902 1/20 0.43
BRD4 O60885 1/20 0.42
TGFBR2 P37173 1/20 0.42
ABL2 P42684 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
MAP3K20 Q9NYL2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL27825171 0.81 BRD4 (0.46) ALDH1A1HPGDBRD4SMN1; SMN2MAPT
SCHEMBL20878376 0.80 BRD4 (0.56) ALDH1A1HPGDBRD4SMN1; SMN2MAPT
SCHEMBL27843972 0.77 HPRT1 (0.44) ALDH1A1HPGDMAPK1HSD17B10BRD4
SCHEMBL7918743 0.76 MAPT (0.56) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL27917128 0.76 CYP1A2 (0.60) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL1227713 0.76 CYP1A2 (0.60) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL29699887 0.76 CYP1A2 (0.60) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL25149668 0.76 BRD4 (0.45) ALDH1A1HPGDACVR1BRD4SMN1; SMN2
SCHEMBL30487734 0.74 CYP1A2 (0.58) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL28021254 0.74 BCHE (0.48) ALDH1A1HPGDKDM4EMAPK1HSD17B10

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-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 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-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 NPC1 459/4885RAB9A 1352/4885ALDH1A1 660/4885

“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.