SCHEMBL1885355

SCHEMBL1885355

O=c1cc[nH]c2ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
F7 P08709 2/20 0.55
F3 P13726 2/20 0.55
AHR P35869 2/20 0.55
LTA4H P09960 1/20 0.55
NR4A2 P43354 1/20 0.55
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
CMA1 P23946 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHEK1 O14757 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRIN2D O15399 1/20 0.45

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
SCHEMBL5636806 0.83 ALDH1A1 (1.00) ALDH1A1F7F3AHRLTA4H
SCHEMBL30544111 0.83 ALDH1A1 (1.00) ALDH1A1F7F3AHRLTA4H
SCHEMBL12338439 0.80 ALDH1A1 (0.65) ALDH1A1F7F3AHRLTA4H
SCHEMBL17025443 0.79 ALDH1A1 (0.51) ALDH1A1F7F3GAAHPGD
SCHEMBL12338438 0.78 ALDH1A1 (0.63) ALDH1A1F7F3AHRLTA4H
SCHEMBL1880534 0.78 PDE10A (0.49) ALDH1A1HPGDKMT2ACA12CA9
SCHEMBL6935037 0.78 ALDH1A1 (0.56) ALDH1A1NR4A2HPGDMEN1KMT2A
SCHEMBL1430366 0.78 ALDH1A1 (0.48) ALDH1A1F7F3AHRLTA4H
SCHEMBL3989503 0.78 AHR (0.53) ALDH1A1AHRNR4A2HPGDKMT2A
SCHEMBL668615 0.78 AHR (0.53) ALDH1A1AHRGAAHPGDGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 US disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
EP-2205586-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2010-07-14 EP disclosed
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2010-05-27 US disclosed
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
EP-2078008-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2009-07-15 EP disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 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 (6 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-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L ALDH1A1 1297/4885F7 3867/4885F3 3095/4885
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof RECQL, NQO1, NQO2 ALDH1A1 2760/4885F7 2692/4885F3 3362/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L ALDH1A1 1297/4885F7 3867/4885F3 3095/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L ALDH1A1 1297/4885F7 3867/4885F3 3095/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L ALDH1A1 1297/4885F7 3867/4885F3 3095/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L ALDH1A1 1297/4885F7 3867/4885F3 3095/4885

“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.