SCHEMBL7122718

SCHEMBL7122718

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 8/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
ADORA3 P0DMS8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ADORA2B P29275 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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 0.82 CYP2D6 (0.46) CYP3A4MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7075474 0.80 EIF4A1 (0.49) CYP3A4MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8553165 0.80 CYP2D6 (0.46) CYP3A4MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7221372 0.80 CYP2D6 (0.46) CYP3A4MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8556340 0.77 KCNH2 (0.45) CYP3A4MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL1125455 0.74 HDAC8 (0.49) MAPTSMN1; SMN2LMNACNR1TRPM8
SCHEMBL8575500 0.74 LMNA (0.49) SMN1; SMN2LMNASLC6A2SLC6A4SLC6A3
SCHEMBL15761208 0.73 TAS2R14 (0.46) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL29699666 0.73 TAS2R14 (0.46) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7219638 0.73 CYP3A4 (0.45) CYP3A4MAPTSMN1; SMN2HTTALDH1A1

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 9 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
US-6664397-B1 Administering to subject effective dose of (+)-mefloquine or pharmaceutically acceptable salt thereof substantially free of (-)-enantiomer; reduced side effects VERNALIS RESEARCH LIMITED (GB) 2003-12-16 US disclosed
US-6197788-B1 (−)-mefloquine to block puringergic receptors and to treat movement or neurodegenerative disorders VERNALIS RESEARCH LIMITED (GB) 2001-03-06 US disclosed
EP-0975345-A1 (-)-MEFLOQUINE TO BLOCK PURINERGIC RECEPTORS AND TO TREAT MOVEMENT OR NEURODEGENERATIVE DISORDERS Cerebrus Pharmaceuticals Limited (GB) 2000-02-02 EP disclosed
WO-1999026627-A1 (-)-MEFLOQUINE TO BLOCK PURINERGIC RECEPTORS AND TO TREAT MOVEMENT OR NEURODEGENERATIVE DISORDERS CEREBRUS LIMITED (GB) 1999-06-03 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 CYP3A4 20/4885MAPT 484/4885SMN1; SMN2 3659/4885

“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.