SCHEMBL4533433

SCHEMBL4533433

CC(=O)OCC(=O)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
NPC1 O15118 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.51
PARP1 P09874 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL28301105 0.85 RXFP1 (0.59) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL8335580 0.83 NPC1 (0.58) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL3991159 0.83 RXFP1 (0.56) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL28055395 0.83 TDP1 (0.57) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL13726555 0.82 NPC1 (0.71) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL13464256 0.80 ALDH1A1 (0.47) RXFP1NPC1TDP1KDM4EALDH1A1
SCHEMBL11753942 0.80 ERCC5 (0.53) MEN1KMT2AKDM4EALDH1A1PARP1
SCHEMBL7911583 0.80 ALDH1A1 (0.68) NPC1MEN1KMT2ATDP1KDM4E
SCHEMBL28294170 0.79 RXFP1 (0.53) RXFP1NPC1MEN1KMT2ATDP1
SCHEMBL11757716 0.79 ALDH1A1 (0.62) NPC1MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112347-B1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2018-10-31 EP disclosed
US-9988350-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-05 US disclosed
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-11-09 US disclosed
US-9718771-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-08-01 US disclosed
EP-3112347-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2017-01-04 EP disclosed
US-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2016-12-15 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
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 (3 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 RXFP1 493/4885NPC1 2993/4885MEN1 3047/4885
US-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR1, S1PR3, S1PR2 RXFP1 64/4885NPC1 372/4885MEN1 363/4885
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR3, S1PR1, S1PR2 RXFP1 56/4885NPC1 342/4885MEN1 357/4885

“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.