SCHEMBL12848465

SCHEMBL12848465

Cc1cccc(Cc2cocn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
FYN P06241 3/20 0.40
IDO1 P14902 2/20 0.40
DAO P14920 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RECQL P46063 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12794242 0.81 KAT7 (0.39) ALDH1A1CYP3A4MAPTHPGDSMN1; SMN2
SCHEMBL1108476 0.78 CALM1 (0.44) TAAR1ALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL12875431 0.74 HSD17B10 (0.51) ALDH1A1USP2MAPTKMT2AHSD17B10
SCHEMBL30000562 0.73 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1MAPK1
SCHEMBL29459538 0.73 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1MAPK1
SCHEMBL1263547 0.73 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1MAPK1
SCHEMBL30638836 0.72 CYP2C19 (0.60) TAAR1FYNCYP2D6CYP2C19ALDH1A1
SCHEMBL21142106 0.72 CYP2C19 (0.60) TAAR1FYNCYP2D6CYP2C19ALDH1A1
SCHEMBL20313307 0.70 TAAR1 (0.44) TAAR1FYNIDO1DAOCYP2D6
SCHEMBL11899073 0.70 HTR2C (0.43) TAAR1IDO1DAOALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 TAAR1 501/4885FYN 415/4885IDO1 1283/4885

“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.