SCHEMBL10123591

SCHEMBL10123591

N#Cc1ccn2ccc3c(c12)CCCC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B2 P19099 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL10148361 0.74 NOS3 (0.40) ALDH1A1MAPTKDM4EBCL2L1BAD
SCHEMBL10123643 0.68 TSHR (0.39) ALDH1A1MAPTHPGDKDM4EALOX15
SCHEMBL29740371 0.67 BCL2L1 (0.52) ALDH1A1MAPTHPGDAPOBEC3GKDM4E
SCHEMBL2507445 0.67 BCL2L1 (0.52) ALDH1A1MAPTHPGDAPOBEC3GKDM4E
SCHEMBL10123587 0.67 TSHR (0.47) ALDH1A1HPGDKDM4EALOX15HSD17B10
SCHEMBL26484320 0.66 BCL2L1 (0.50) ALDH1A1MAPTHPGDAPOBEC3GKDM4E
SCHEMBL10123623 0.66 TSHR (0.36) ALDH1A1
SCHEMBL10123589 0.66 TSHR (0.36) KDM4E
SCHEMBL13215884 0.64 TSHR (0.40) ALDH1A1MAPTHPGDAPOBEC3GKDM4E
SCHEMBL9455906 0.63 BCL2L1 (0.47) ALDH1A1KDM4ENPSR1BCL2L1BAD

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 397/4885MAPT 3604/4885HPGD 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.