SCHEMBL1591841

SCHEMBL1591841

NC(O)c1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.48
CYP2D6 P10635 9/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
PTK2B Q14289 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4278256 0.84 NCF1 (0.50) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL263407 0.81 LOXL2 (0.50) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL6665709 0.81 LOXL2 (0.55) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL30964808 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL8907421 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL264120 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL30238817 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL13868218 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL14122720 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4
SCHEMBL14120837 0.81 NCF1 (0.52) NCF1LOXL2CYP2D6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4089077-A1 NOVEL QUINOLINE DERIVATIVES AND USES THEREOF Istituto Europeo di Oncologia S.r.l. (IT) 2022-11-16 EP disclosed
US-20110092488-A1 Quninoline Methanol Compounds for the Treatment and Prevention of Parasitic Infections DOW GEOFFREY 2011-04-21 US disclosed
WO-2008060269-A2 QUINOLINE METHANOL COMPOUNDS FOR THE TREATMENT AND PREVENTION OF PARASITIC INFECTIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2008-05-22 WO disclosed
WO-2006108666-A1 MEFLOQUINE, NELFINAVIR AND SAQUINAVIR AS NOVEL AGENTS FOR NEURODEGENERATIVE AND (NEURO-) INFLAMMATORY DISEASES PROTEOSYS AG (DE) 2006-10-19 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-20110092488-A1 Quninoline Methanol Compounds for the Treatment and Prevention of Parasitic Infections MTX1, MTX2, NQO2 NCF1 2699/4885LOXL2 2343/4885CYP2D6 478/4885

“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.