SCHEMBL9950246

SCHEMBL9950246

CC1CCc2cccc(OCc3ccc(Cl)cc3)c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
BRD4 O60885 2/20 0.45
CREBBP Q92793 2/20 0.45
SLC6A4 P31645 6/20 0.41
CARM1 Q86X55 3/20 0.40
HPD P32754 1/20 0.40
HTR6 P50406 3/20 0.39
PRMT1 Q99873 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL9952168 0.89 BRD4 (0.46) NPC1RAB9ABRD4CREBBPSLC6A4
SCHEMBL4138667 0.88 BRD4 (0.56) BRD4CREBBPSLC6A4HTR6HTR1A
SCHEMBL9951225 0.86 BRD4 (0.44) NPC1RAB9ABRD4CREBBPHTR1A
SCHEMBL9951126 0.85 HTR6 (0.43) NPC1RAB9ABRD4CREBBPSLC6A4
SCHEMBL9952185 0.84 MAOB (0.47) BRD4CREBBPSLC6A4
SCHEMBL9951335 0.82 NPC1 (0.46) NPC1RAB9ABRD4CREBBPHPD
SCHEMBL9951293 0.82 SLC6A4 (0.43) BRD4CREBBPSLC6A4CYP3A4
SCHEMBL10029547 0.81 HTR6 (0.53) BRD4CREBBPSLC6A4HTR6HTR1A
SCHEMBL10840931 0.80 BRD4 (0.40) BRD4CREBBPHTR1A
SCHEMBL9951483 0.80 BRD4 (0.47) BRD4CREBBPSLC6A4HTR6HTR1A

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
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
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 NPC1 1614/4885RAB9A 688/4885BRD4 111/4885

“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.