SCHEMBL2932980

SCHEMBL2932980

O=C(c1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.56
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
CASP1 P29466 1/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ADRB2 P07550 1/20 0.48

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
SCHEMBL2928330 0.88 SMN1; SMN2 (0.64) HIF1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5592054 0.87 KDM4E (0.59) CASP1CASP4CASP5MEN1KMT2A
SCHEMBL2929035 0.85 ALDH1A1 (0.70) MCHR1CYP2D6HDAC1HDAC8HDAC6
SCHEMBL3276896 0.85 CASP1 (0.64) CYP2D6CYP2C9HIF1ACASP1CASP4
SCHEMBL3275430 0.84 HDAC1 (0.69) CYP2D6CASP1CASP4CASP5HDAC1
SCHEMBL28206349 0.83 CASP1 (0.62) CYP2D6CYP2C9HIF1ACASP1CASP4
SCHEMBL3282966 0.83 CASP1 (0.62) CYP2D6CYP2C9HIF1ACASP1CASP4
SCHEMBL28784579 0.83 HRH3 (0.69) CYP2D6CYP2C9HIF1AHDAC1HDAC8
SCHEMBL3275253 0.83 HRH3 (0.69) CYP2D6CYP2C9HIF1AHDAC1HDAC8
Hydrochloric Acid SCHEMBL27789104 0.81 HRH3 (0.67) CYP2D6CYP2C9HIF1AHDAC1HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US disclosed
EP-2121616-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS Campiani, Giuseppe (IT) 2009-11-25 EP disclosed
WO-2008101891-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2008-08-28 WO disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 MCHR1 3775/4885CYP2D6 1717/4885CYP2C9 801/4885

“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.