SCHEMBL10123586

SCHEMBL10123586

Cc1cc(C)c2c(C#N)ccn2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
KDM4E B2RXH2 4/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
AR P10275 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX12 P18054 1/20 0.31
BRCA1 P38398 1/20 0.31

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
SCHEMBL10123587 0.74 TSHR (0.47) TSHRKDM4EALOX15HSD17B10CASP1
SCHEMBL10123643 0.72 TSHR (0.39) TSHRKDM4EALOX15HSD17B10TDP1
SCHEMBL10123585 0.70 ALDH1A1 (0.35) TSHRKDM4EHSD17B10TDP1ALDH1A1
SCHEMBL10123623 0.69 TSHR (0.36) TSHRALDH1A1MAOAAR
SCHEMBL10123627 0.69 TRPV4 (0.36) KDM4EARKMT2AMEN1
SCHEMBL10123589 0.69 TSHR (0.36) TSHRKDM4E
SCHEMBL10123575 0.68 MAOA (0.35) TSHRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7169392 0.68 TSHR (0.39) TSHRKDM4EALDH1A1MAOAMAOB
SCHEMBL10123621 0.66 AR (0.37) TSHRKDM4EHSD17B10ALDH1A1MAOA
SCHEMBL10123590 0.66 ALDH1A1 (0.33) TSHRKDM4EALDH1A1KMT2ALMNA

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 TSHR 1474/4885KDM4E 3481/4885ALOX15 467/4885

“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.