SCHEMBL10123632

SCHEMBL10123632

CC(C)c1ccn2ccc(C#N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MCL1 Q07820 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGR P06401 4/20 0.31
AR P10275 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10123575 0.76 MAOA (0.35) ALDH1A1KDM4EMAOAMAOBHPGD
SCHEMBL19966706 0.75 DRD2 (0.40) ALDH1A1KDM4ENPC1POLBHPGD
SCHEMBL10123651 0.73 CDC7 (0.33) ALDH1A1KDM4E
SCHEMBL11943531 0.73 LMNA (0.33) ALDH1A1
SCHEMBL10123594 0.71 CYP2A6 (0.38) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL344208 0.71 KDM4E (0.43) ALDH1A1KDM4EMAOAMAOBPOLB
SCHEMBL344216 0.71 TLR9 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL10123639 0.71 KIF11 (0.35) ALDH1A1KDM4ENPC1HPGDSMN1; SMN2
SCHEMBL10123635 0.69 GABRA1 (0.37) PGRAR
SCHEMBL10123650 0.69 MEN1 (0.38) ALDH1A1KDM4ENPC1RAB9APGR

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
US-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 US 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 3481/4885MCL1 2481/4885

“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.