SCHEMBL6280245

SCHEMBL6280245

C=CCc1ccc2c(CC=C)c(OC)cc([N+](=O)[O-])c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6404447 0.68 MAOA (0.45) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL31276471 0.67 ALDH1A1 (0.47) ALDH1A1GABRA1GABRB2HTTHPGD
SCHEMBL4727818 0.67 ALDH1A1 (0.39) ALDH1A1HTTCYP3A4KDM4EMAPT
SCHEMBL7075743 0.66 ALDH1A1 (0.63) ALDH1A1GABRA1GABRB2HTTHPGD
SCHEMBL4726183 0.66 TUBB4A (0.40) ALDH1A1HTTCYP3A4KDM4EMAPT
SCHEMBL4290497 0.65 GABRA1 (0.53) ALDH1A1GABRA1GABRB2HTTHPGD
SCHEMBL5083843 0.64 TUBB4A (0.41) ALDH1A1HTTHPGDCYP3A4KDM4E
SCHEMBL10731545 0.64 GABRA1 (0.55) ALDH1A1GABRA1GABRB2HTTHPGD
SCHEMBL25182556 0.64 ALDH1A1 (0.46) ALDH1A1GABRA1GABRB2HTTHPGD
SCHEMBL15091075 0.63 ALDH1A1 (0.41) ALDH1A1GABRA1GABRB2HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 US 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 ALDH1A1 673/4885GABRA1 2986/4885GABRB2 3435/4885

“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.