SCHEMBL659966

SCHEMBL659966

O=C(NNc1ccccn1)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSD P07339 1/20 0.37

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
SCHEMBL660856 0.85 CTNNB1 (0.40) RAB9ANPC1GAASMN1; SMN2P2RX7
SCHEMBL287206 0.84 PTGS2 (0.47) GAASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7805087 0.81 HDAC1 (0.40) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL660917 0.78 ALDH1A1 (0.40) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL27854995 0.76 ALDH1A1 (0.41) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL27871669 0.75 TSHR (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27871677 0.72 ALDH1A1 (0.38) RAB9ANPC1GAASMN1; SMN2MEN1
SCHEMBL13385745 0.72 GAA (0.66) RAB9ANPC1GAASMN1; SMN2PKM
SCHEMBL661571 0.71 RAB9A (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL287827 0.71 ALDH1A1 (0.41) RAB9ANPC1GAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT RAB9A 2179/4885NPC1 1176/4885GAA 194/4885

“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.