SCHEMBL9951610

SCHEMBL9951610

CC1CCc2cccc(OCc3cccc([N+](=O)[O-])c3)c2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MET P08581 2/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL9951335 0.89 NPC1 (0.46) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL9952174 0.82 ABCB1 (0.48) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL4138667 0.81 BRD4 (0.56) HTR1AMAOBMAOABRD4CREBBP
SCHEMBL9951483 0.80 BRD4 (0.47) HTR1ABRD4CREBBPMAPK1MAPT
SCHEMBL9951225 0.78 BRD4 (0.44) KMT2AHTR1AADRA1DADRA1AADRA1B
SCHEMBL9952168 0.77 BRD4 (0.46) MEN1KMT2AHTR1AALDH1A1POLB
SCHEMBL9950246 0.76 NPC1 (0.45) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL9951126 0.74 HTR6 (0.43) HTR1AMAOBMAOABRD4CREBBP
SCHEMBL10840931 0.74 BRD4 (0.40) HTR1AALDH1A1BRD4CREBBP
SCHEMBL9952185 0.73 MAOB (0.47) MAOBMAOABRD4CREBBP

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 6 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
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 MEN1 1753/4885KMT2A 362/4885HTR1A 1585/4885

“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.