SCHEMBL9914898

SCHEMBL9914898

N#CCOc1ccccc1Cc1ccc2c(ccn2Sc2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
HRH1 P35367 8/20 0.32
DRD1 P21728 7/20 0.32
DRD5 P21918 6/20 0.32
DRD4 P21917 5/20 0.32
DRD3 P35462 5/20 0.32
DRD2 P14416 5/20 0.32
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL9914897 0.79 KEAP1 (0.42) HPGDCYP3A4
SCHEMBL9913592 0.78 HTR6 (0.49) HPGDTSHRL3MBTL1LMNA
SCHEMBL9914924 0.76 PTGER3 (0.40)
SCHEMBL2453125 0.67 CDK4 (0.42) HPGDTSHRL3MBTL1LMNA
SCHEMBL20937418 0.65 CYP1A2 (0.43) SMN1; SMN2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL9913593 0.64 HDAC1 (0.52) HPGDTSHRL3MBTL1LMNA
SCHEMBL30094656 0.62 ALOX5AP (0.43) SMN1; SMN2FFAR1L3MBTL1LMNA
SCHEMBL11869553 0.62 ALOX5AP (0.43) SMN1; SMN2FFAR1L3MBTL1LMNA
SCHEMBL12578542 0.61 ALOX5AP (0.40) HPGDSMN1; SMN2FFAR1HRH1DRD2
SCHEMBL7003874 0.61 KDM4E (0.40) FFAR1TSHRL3MBTL1

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-8198274-B2 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-06-12 US disclosed
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC 2010-01-21 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-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof MAOB, MAOA, TPH1 HPGD 1042/4885SMN1; SMN2 1302/4885FFAR1 1750/4885

“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.