SCHEMBL9951483

SCHEMBL9951483

CC1CCc2cccc(OCc3cccc(-c4ccccc4)c3)c2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.47
CFD P00746 3/20 0.41
F11 P03951 3/20 0.41
GRM2 Q14416 2/20 0.41
AGXT P21549 1/20 0.40
TPSB2 P20231 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
NAAA Q02083 1/20 0.39
HTR6 P50406 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4138667 0.90 BRD4 (0.56) BRD4CREBBPHTR6HTR1ASLC6A2
SCHEMBL10029547 0.86 HTR6 (0.53) BRD4CREBBPHTR6HTR1ASLC6A4
SCHEMBL9952174 0.84 ABCB1 (0.48) BRD4CREBBPAGXTHTR1ASLC6A4
SCHEMBL9952168 0.81 BRD4 (0.46) BRD4CREBBPHTR6HTR1ASLC6A2
SCHEMBL9951610 0.80 MEN1 (0.48) BRD4CREBBPHTR1AMAPTMAPK1
SCHEMBL9950246 0.80 NPC1 (0.45) BRD4CREBBPHTR6HTR1ASLC6A2
SCHEMBL9951225 0.79 BRD4 (0.44) BRD4CREBBPHTR1A
SCHEMBL9951126 0.78 HTR6 (0.43) BRD4CREBBPMRGPRX4HTR6HTR1A
SCHEMBL10840931 0.77 BRD4 (0.40) BRD4CREBBPHTR1A
SCHEMBL9952185 0.77 MAOB (0.47) BRD4CREBBPMRGPRX4HCRTR1HCRTR2

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
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
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

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 BRD4 111/4885CREBBP 2029/4885CFD 4879/4885

“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.