SCHEMBL10172743

SCHEMBL10172743

CCc1c(-c2ccccc2)nn(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.44
ADCY10 Q96PN6 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
CSF1R P07333 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL27676185 0.87 GRIA2 (0.44) RECQLALDH1A1KDM4EPOLBADCY10
SCHEMBL4685142 0.83 SCN9A (0.42) SMN1; SMN2ALDH1A1KDM4EGRM5LMNA
SCHEMBL23566756 0.79 TSHR (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDADORA3
SCHEMBL10960207 0.79 KDM4E (0.49) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL23401443 0.79 SMN1; SMN2 (0.51) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL10956243 0.79 KDM4E (0.49) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL11708100 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL8842415 0.78 CDK8 (0.56) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL16381208 0.77 SMN1; SMN2 (0.49) SMN1; SMN2RECQLALDH1A1KDM4EPOLB
SCHEMBL14191068 0.76 NPSR1 (0.66) SMN1; SMN2RECQLALDH1A1POLBNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 SMN1; SMN2 3004/4885RECQL 1611/4885ALDH1A1 1022/4885

“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.