SCHEMBL345108

SCHEMBL345108

COC(=O)c1ccc(-c2c(F)c(Br)c3ccccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
FBP1 P09467 1/20 0.43
IDO1 P14902 2/20 0.43
FGFR1 P11362 1/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 1/20 0.41
PPARG P37231 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PTPN1 P18031 2/20 0.40

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
SCHEMBL344160 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EFBP1IDO1FGFR1
SCHEMBL343566 0.78 MAPT (0.41) ALDH1A1KDM4EIDO1FGFR1MAPT
SCHEMBL344481 0.70 KDM4E (0.53) ALDH1A1KDM4EIDO1MAPTKMT2A
SCHEMBL27983518 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EFGFR1MAPTKMT2A
SCHEMBL343950 0.67 ALDH1A1 (0.42) ALDH1A1KDM4EFBP1IDO1FGFR1
SCHEMBL1105491 0.66 TSHR (0.75) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL342350 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL19387238 0.65 CA1 (0.70) ALDH1A1KDM4EMAPTKMT2AMEN1
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.65 CA1 (0.70) ALDH1A1KDM4EMAPTKMT2AMEN1
Fluoride SCHEMBL28205240 0.65 CA1 (0.76) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
EP-2415771-B1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 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-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, INMT, PON1 ALDH1A1 397/4885KDM4E 3481/4885FBP1 406/4885

“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.