SCHEMBL9952174

SCHEMBL9952174

COc1cccc(COc2cccc3c2NC(C)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.48
HTR1A P08908 3/20 0.48
DRD2 P14416 2/20 0.48
SLC6A4 P31645 2/20 0.47
MAOB P27338 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CDK1 P06493 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
HTR2C P28335 1/20 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
SCHEMBL9951225 0.88 BRD4 (0.44) ABCB1HTR1ADRD2MAOBADRA1D
SCHEMBL10029547 0.86 HTR6 (0.53) HTR1ASLC6A4MAOBADRA1DADRA1A
SCHEMBL4138667 0.85 BRD4 (0.56) HTR1ADRD2SLC6A4MAOBBRD4
SCHEMBL9951483 0.84 BRD4 (0.47) HTR1ASLC6A4BRD4CREBBPMAPT
SCHEMBL9951610 0.82 MEN1 (0.48) HTR1AMAOBADRA1DADRA1AADRA1B
SCHEMBL9952168 0.81 BRD4 (0.46) HTR1ASLC6A4MAOBBRD4CREBBP
SCHEMBL9950246 0.80 NPC1 (0.45) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL11422593 0.78 DRD2 (0.46) HTR1ADRD2
SCHEMBL9951126 0.78 HTR6 (0.43) HTR1ASLC6A4MAOBBRD4CREBBP
SCHEMBL9951293 0.77 SLC6A4 (0.43) SLC6A4BRD4CREBBP

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-9493419-B2 Quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-11-15 US claimed
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
WO-2012083866-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-06-28 WO 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
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 (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-20120165370-A1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HKDC1, HK1 ABCB1 1139/4885HTR1A 1585/4885DRD2 4432/4885

“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.