SCHEMBL345253

SCHEMBL345253

COCOc1cc(-c2cc(C#N)c3ccccn23)ccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
PPARG P37231 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
PABPC1 P11940 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
XDH P47989 1/20 0.39
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35

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
SCHEMBL344626 0.80 MEN1 (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL343950 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL343566 0.74 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL343727 0.74 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL343467 0.72 XDH (0.52) XDH
SCHEMBL10123766 0.71 RORC (0.46) MEN1KMT2AXDH
SCHEMBL343003 0.71 PPM1B (0.40) XDH
SCHEMBL342433 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15158182 0.71 XDH (0.36) KDM4EXDHEGFRARCHEK1
SCHEMBL15158058 0.70 MAPT (0.38) KDM4EMAPTXDHEGFRAR

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 397/4885MEN1 2393/4885KMT2A 2454/4885

“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.