SCHEMBL4138667

SCHEMBL4138667

CC1CCc2cccc(OCc3ccccc3)c2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.56
CREBBP Q92793 4/20 0.56
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 5/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM1A O60341 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LIPE Q05469 1/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL9951483 0.90 BRD4 (0.47) BRD4CREBBPMAPTMAPK1TDP1
SCHEMBL9952168 0.90 BRD4 (0.46) BRD4CREBBPTDP1L3MBTL1HTR1A
SCHEMBL9950246 0.88 NPC1 (0.45) BRD4CREBBPMAPTL3MBTL1HTR1A
SCHEMBL10029547 0.87 HTR6 (0.53) BRD4CREBBPHTR1ASLC6A4HTR2A
SCHEMBL9951225 0.87 BRD4 (0.44) BRD4CREBBPHTR1AMAOBDRD2
SCHEMBL9951126 0.86 HTR6 (0.43) BRD4CREBBPHTR1ASLC6A2SLC6A4
SCHEMBL9952174 0.85 ABCB1 (0.48) BRD4CREBBPMAPTHTR1ASLC6A4
SCHEMBL9952185 0.85 MAOB (0.47) BRD4CREBBPSLC6A4HTR2CMAOA
SCHEMBL9951335 0.83 NPC1 (0.46) BRD4CREBBPMAPTHTR1AMAOA
SCHEMBL9951293 0.83 SLC6A4 (0.43) BRD4CREBBPSLC6A4

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-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP claimed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 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-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 (2 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 2029/4885MAPT 3928/4885
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 BRD4 99/4885CREBBP 2023/4885MAPT 4726/4885

“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.