SCHEMBL9952185

SCHEMBL9952185

CC1CCc2cccc(OCc3ccc(C(F)(F)F)cc3)c2N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
F10 P00742 1/20 0.38
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPRB P23467 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PREP P48147 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL9952168 0.88 BRD4 (0.46) MAOBBRD4CREBBPSLC6A4HTR2B
SCHEMBL9951293 0.86 SLC6A4 (0.43) BRD4CREBBPSLC6A4HCRTR1HCRTR2
SCHEMBL4138667 0.85 BRD4 (0.56) MAOBBRD4CREBBPSLC6A4HTR2C
SCHEMBL9950246 0.84 NPC1 (0.45) BRD4CREBBPSLC6A4
SCHEMBL9951225 0.83 BRD4 (0.44) MAOBBRD4CREBBP
SCHEMBL9951126 0.82 HTR6 (0.43) MAOBBRD4CREBBPSLC6A4MRGPRX4
SCHEMBL9951335 0.80 NPC1 (0.46) MAOBBRD4CREBBPMAOA
SCHEMBL10029547 0.79 HTR6 (0.53) MAOBBRD4CREBBPSLC6A4HTR2C
SCHEMBL10840931 0.77 BRD4 (0.40) BRD4CREBBPHTR2C
SCHEMBL9951483 0.77 BRD4 (0.47) BRD4CREBBPSLC6A4HCRTR1HCRTR2

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
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

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 MAOB 4063/4885BRD4 111/4885CREBBP 2029/4885

“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.