SCHEMBL9951127

SCHEMBL9951127

O=Cc1ccc2c(Br)cc(Br)c(O)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ CCR1 P32246 1/20 0.50
▸ HSP90AA1 P07900 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIM1 P11309 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
SCHEMBL18682007 0.87 TP53 (0.43) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL1101793 0.75 KDM4E (0.53) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL1781881 0.75 GAA (0.69) TP53ALDH1A1MEN1KMT2AKDM4E
Broquinaldol SCHEMBL2110667 0.74 MAPT (0.54) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL18682033 0.74 KDM4E (0.54) TP53ALDH1A1CYP1A2CYP2C9ALOX15
Broquinaldol SCHEMBL29606314 0.74 MAPT (0.54) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL18682009 0.73 KDM4E (0.47) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL3819661 0.73 MAPT (0.58) TP53ALDH1A1ALOX15MEN1KMT2A
SCHEMBL18682034 0.73 KDM4E (0.58) TP53ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL18668571 0.71 CCR1 (0.52) TP53ALDH1A1CYP1A2CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-18 — — US disclosed
US-20180265475-A1 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-09-20 — — US disclosed
WO-2017053696-A2 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-03-30 — — WO disclosed
WO-2017053696-A2 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-03-30 — — WO disclosed
US-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 — — US disclosed
US-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 — — US disclosed
US-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 — — US disclosed
CN-102603628-A Quinoline derivatives as anti-cancer agents UNIV HONG KONG POLYTECHNIC 2012-07-25 — — CN disclosed
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 — — US disclosed
WO-2012083866-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 — — WO disclosed
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 — — US disclosed
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 — — US 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-20180265475-A1 HALOGENATED QUINOLINE DERIVATIVES AS ANTIMICROBIAL AGENTS NDUFS5, NDUFS7, NDUFS3 TP53 3924/4885ALDH1A1 553/4885CYP1A2 18/4885
US-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HKDC1, HK1 TP53 427/4885ALDH1A1 1653/4885CYP1A2 1038/4885
US-11008290-B2 Halogenated quinoline derivatives as antimicrobial agents NDUFS5, NDUFS7, NDUFS3 TP53 3924/4885ALDH1A1 553/4885CYP1A2 18/4885

“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.

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