SCHEMBL4345671

SCHEMBL4345671

O=C(c1ccccc1)c1ccc2cc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.56
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
TNKS O95271 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AXL P30530 1/20 0.38
NUDT1 P36639 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CDK8 P49336 2/20 0.38
CDK7 P50613 2/20 0.38

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
SCHEMBL27732331 0.86 AXL (0.41) CNR2ALDH1A1TNKSMAPTHPGD
SCHEMBL4347102 0.85 MEN1 (0.42) CNR2KMT2AALDH1A1MAPTMEN1
SCHEMBL1855794 0.80 MGAM (0.46) KMT2AALDH1A1TNKSMEN1HPGD
SCHEMBL23970943 0.75 CDK8 (0.41) ALDH1A1TTBK1TTBK2TNKSHPGD
SCHEMBL19463620 0.75 PIM1 (0.43) ALDH1A1TNKSMAPTHPGDAXL
SCHEMBL23093275 0.75 NPC1 (0.45) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL30369396 0.74 NPC1 (0.60) KMT2AHDAC6NPC1MAPTRAB9A
SCHEMBL5258384 0.73 KMT2A (0.44) KMT2AALDH1A1HDAC6NPC1MAPT
SCHEMBL4342976 0.73 BRD4 (0.35) KMT2AALDH1A1HDAC6TNKSNPC1
SCHEMBL4342973 0.73 BRD4 (0.35) KMT2AALDH1A1HDAC6TNKSNPC1

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-20090274674-A1 Heterocyclic Oxime Compounds, Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2009-11-05 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-20090274674-A1 Heterocyclic Oxime Compounds, Process for Their Preparation and Pharmaceutical Compositions Containing Them CYP3A4, CYP2C19, CYP3A43 CNR2 420/4885KMT2A 1942/4885ALDH1A1 782/4885

“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.