SCHEMBL4530947

SCHEMBL4530947

COc1ccc2ccccc2c1-c1c[nH]c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.58
NISCH Q9Y2I1 1/20 0.50
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IDO1 P14902 1/20 0.39
PDGFRB P09619 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
NQO1 P15559 1/20 0.38
NPC1 O15118 1/20 0.38
NFATC1 O95644 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
SCHEMBL4529628 0.85 DHFR (0.48) MEN1KMT2AMAPTNISCHCCNT1
SCHEMBL4535219 0.79 IDO1 (0.49) MEN1KMT2AMAPTCCNT1CCNA2
SCHEMBL4518797 0.77 PDGFRB (0.44) MEN1KMT2AMAPTCCNT1CCNA2
SCHEMBL998182 0.76 MAPT (1.00) MEN1KMT2AMAPTNISCHALDH1A1
SCHEMBL29428410 0.76 MAPT (1.00) MEN1KMT2AMAPTNISCHALDH1A1
SCHEMBL4519681 0.76 MAPT (0.49) MEN1KMT2AMAPTNISCHCCNT1
SCHEMBL12592147 0.75 MEN1 (1.00) MEN1KMT2AMAPTNISCHALDH1A1
SCHEMBL6643439 0.74 CDK9 (0.61) MEN1KMT2AMAPTNISCHCCNT1
SCHEMBL4837388 0.74 MEN1 (0.60) MEN1KMT2AMAPTNISCHCCNT1
SCHEMBL1408091 0.74 HSP90AA1 (0.53) MAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B MEN1 3047/4885KMT2A 2279/4885MAPT 2855/4885

“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.