SCHEMBL6521139

SCHEMBL6521139

O=c1[nH]c2ccc(Br)cc2cc1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 5/20 0.49
CYP19A1 P11511 1/20 0.49
MAPK1 P28482 2/20 0.46
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
CNR1 P21554 1/20 0.43
IDO1 P14902 1/20 0.43
IDH1 O75874 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALKBH3 Q96Q83 1/20 0.42

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
SCHEMBL30162579 1.00 IL4I1 (0.49) IL4I1CYP19A1MAPK1PDE3BPDE3A
SCHEMBL15363374 0.86 PDE3B (0.45) IL4I1PDE3BPDE3AIDH1MAPT
SCHEMBL29140543 0.85 IL4I1 (0.59) IL4I1MAPK1IDO1
SCHEMBL24851784 0.84 IL4I1 (0.60) IL4I1MAPK1PDE3BPDE3AKDM4E
SCHEMBL13770122 0.82 IL4I1 (0.49) IL4I1MAPK1PDE3BPDE3AMAPT
SCHEMBL9267126 0.82 IL4I1 (0.52) IL4I1MAPK1MAPTKDM4EALDH1A1
SCHEMBL13197362 0.82 CYP19A1 (0.49) CYP19A1CNR1IDO1MAPTKDM4E
SCHEMBL6210703 0.82 PDE3B (0.43) IL4I1MAPK1PDE3BPDE3AIDH1
SCHEMBL6210274 0.82 PDE3B (0.43) IL4I1MAPK1PDE3BPDE3AIDH1
SCHEMBL13664754 0.80 TAAR1 (0.54) CYP19A1CNR1IDH1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
EP-1912948-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-09-09 EP disclosed
US-7915292-B2 2-{benzyl-[(6-methyl-2-phenyl-quinolin-3-yl)-phenyl-methyl]-amino}-N-(4-methyl-piperazin-1-yl)-acetamide; tuberculosis; antimycobacterial drugs; a tertiary nitrogen atom in the alpha position in the side chain attached to the 3-position of the quinoline nucleus to get fewer enantiomers possible JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915292-B2 2-{benzyl-[(6-methyl-2-phenyl-quinolin-3-yl)-phenyl-methyl]-amino}-N-(4-methyl-piperazin-1-yl)-acetamide; tuberculosis; antimycobacterial drugs; a tertiary nitrogen atom in the alpha position in the side chain attached to the 3-position of the quinoline nucleus to get fewer enantiomers possible JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
WO-2007014885-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 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 (3 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 IL4I1 157/4885CYP19A1 1821/4885MAPK1 1322/4885
US-20080182855-A1 Antibacterial Quinoline Derivatives NDUFB5, NQO2, MT-ND5 IL4I1 140/4885CYP19A1 4011/4885MAPK1 1272/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN IL4I1 1/4885CYP19A1 1591/4885MAPK1 1868/4885

“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.