SCHEMBL3078886

SCHEMBL3078886

CC(=O)Nc1cncc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 2/20 0.44
APOBEC3A P31941 1/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KDM4C Q9H3R0 5/20 0.42
KDM4D Q6B0I6 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
FABP4 P15090 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL2811220 0.80 ALDH1A1 (0.48) KDM4EGFERSMN1; SMN2LMNAFABP4
SCHEMBL5532397 0.76 LDHA (0.50) KDM4EPOLBSMN1; SMN2LMNAHSD17B10
SCHEMBL4439968 0.72 KDM4C (0.69) KDM4EKDM4CKDM4DALDH1A1KDM5B
SCHEMBL4429003 0.72 KDM4C (0.54) KDM4EPOLBCYP2C19KDM4CKDM4D
SCHEMBL31620734 0.72 KDM4C (0.54) KDM4EPOLBCYP2C19KDM4CKDM4D
SCHEMBL27656821 0.72 CDK2 (0.46) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL110042 0.71 POLB (0.72) KDM4EPOLBCYP2C19SMN1; SMN2HSD17B10
SCHEMBL29437050 0.71 POLB (0.72) KDM4EPOLBCYP2C19SMN1; SMN2HSD17B10
SCHEMBL27819891 0.71 POLB (0.72) KDM4EPOLBCYP2C19SMN1; SMN2HSD17B10
SCHEMBL25343189 0.71 SIRT2 (0.54) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT HDAC1 347/4885KDM4E 3322/4885APOBEC3A 3353/4885

“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.