SCHEMBL8556340

SCHEMBL8556340

O=CC(=O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
CYP3A4 P08684 6/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 2/20 0.43
ADORA2A P29274 5/20 0.43
ADORA1 P30542 5/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2B P29275 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 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
SCHEMBL11289917 0.86 CYP2D6 (0.46) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL7075474 0.85 EIF4A1 (0.49) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL8553165 0.85 CYP2D6 (0.46) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL7221372 0.81 CYP2D6 (0.46) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL1147111 0.77 KCNH2 (0.46) KCNH2CYP3A4HTTALDH1A1CYP2D6
SCHEMBL7122718 0.77 CYP3A4 (0.43) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL7219638 0.77 CYP3A4 (0.45) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL7225213 0.76 CYP3A4 (0.44) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL2847208 0.76 CTNNB1 (0.46) KCNH2CYP3A4MAPTHTTSMN1; SMN2
SCHEMBL1655812 0.75 KCNH2 (0.49) KCNH2CYP3A4HTTALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-8716265-B2 4-quinolinemethanols as anti-malarial agents JENRIN DISCOVERY, INC. (US) 2014-05-06 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
US-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 US disclosed
WO-2012068560-A2 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-05-24 WO 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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS CYP51A1, SQLE, NQO2 KCNH2 2710/4885CYP3A4 20/4885MAPT 484/4885

“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.