SCHEMBL4534098

SCHEMBL4534098

Nc1ncc(-c2cccc(-c3ccc(F)cc3)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
AGXT P21549 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 2/20 0.39
FLT3 P36888 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
ALOX5 P09917 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
SCHEMBL4528767 0.87 RAB9A (0.47) RAB9AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL20242220 0.85 TAAR1 (0.46) KDM4ETAAR1MEN1KMT2AMAP4K4
SCHEMBL22925714 0.85 RAB9A (0.53) RAB9AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL4535226 0.81 CYP17A1 (0.39) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL4534870 0.79 KDR (0.47) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL4539660 0.79 HSD17B1 (0.55) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL4524356 0.79 ADORA2A (0.46) RAB9AALDH1A1TSHRADORA1MAOB
SCHEMBL14650182 0.78 MAP4K4 (0.54) RAB9AKDM4ENPC1ALDH1A1MEN1
SCHEMBL4537136 0.78 MEN1 (0.56) RAB9AKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL4530786 0.78 RAB9A (0.41) RAB9AKDM4ENPC1ALDH1A1HPGD

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 RAB9A 1024/4885KDM4E 2758/4885NPC1 2993/4885

“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.