SCHEMBL342433

SCHEMBL342433

CCOC(=O)c1ccc(-c2cc(C#N)c3ccccn23)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
KDM4E B2RXH2 8/20 0.44
HPGD P15428 5/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 5/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 8/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
GPR55 Q9Y2T6 2/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10123750 0.85 HPGD (0.40) ALDH1A1HPGDGAANPSR1L3MBTL1
SCHEMBL343727 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL17339104 0.73 KDM4E (0.52) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL6752066 0.72 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL3073278 0.72
SCHEMBL345253 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL343950 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL343467 0.71 XDH (0.52)
SCHEMBL343003 0.70 PPM1B (0.40)
SCHEMBL10123766 0.70 RORC (0.46) KMT2AMEN1

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 3481/4885HPGD 433/4885

“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.