SCHEMBL3038296

SCHEMBL3038296

O=C(O)c1cccc2nc(CCN3C(=O)c4ccccc4C3=O)cn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE10A Q9Y233 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3021189 0.79 RAB9A (0.41) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3040124 0.78 RAB9A (0.41) HSD17B10MAPTRAB9AKDM4EGAA
SCHEMBL7863445 0.74 RAB9A (0.45) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3039669 0.74 RAB9A (0.42) MAPTMEN1KMT2APDE10ASMN1; SMN2
SCHEMBL3021542 0.74 RAB9A (0.39) MAPTMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL949224 0.74 HSD17B10 (0.52) HSD17B10PKMMAPTPOLBMEN1
SCHEMBL3027230 0.73 HTR2A (0.37) PKMMAPTPOLBMEN1KMT2A
SCHEMBL3031734 0.71 HRH2 (0.36) HSD17B10PKMMAPTMEN1KMT2A
SCHEMBL3034160 0.70 TP53 (0.35) ALDH1A1RAB9ATP53
SCHEMBL3028693 0.70 PTPN11 (0.37) KMT2ARAB9AKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
EP-2096923-A2 HETEROARYL AMIDE DERIVATIVES H. Lundbeck A/S (DK) 2009-09-09 EP disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 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 (2 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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 HSD17B10 1049/4885PKM 2938/4885MAPT 4321/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 HSD17B10 1049/4885PKM 2938/4885MAPT 4321/4885

“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.