SCHEMBL6310693

SCHEMBL6310693

Clc1ccc(C(c2ccc3nc(Cl)cc(-c4ccccc4)c3c2)n2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.67
FNTB P49356 1/20 0.67
CYP19A1 P11511 10/20 0.62
CYP17A1 P05093 2/20 0.54
CNR1 P21554 4/20 0.53
CYP3A4 P08684 4/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PLA2G1B P04054 1/20 0.53
TP53 P04637 1/20 0.53
PGR P06401 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
IDO1 P14902 1/20 0.53
HPGD P15428 1/20 0.53
MAOA P21397 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL7092407 0.92 FNTA (0.56) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL6303535 0.80 FNTA (1.00) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL11370543 0.80 CYP19A1 (0.85) FNTAFNTBCYP19A1CYP17A1CNR1
Nitric Acid SCHEMBL6873533 0.80 FNTA (0.58) FNTAFNTBCYP19A1CYP17A1CNR1
Nitric Acid SCHEMBL6873528 0.80 FNTA (0.58) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL6867606 0.79 FNTA (0.67) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL11366789 0.78 CYP19A1 (1.00) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL11353276 0.77 CYP19A1 (0.91) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL11643112 0.77 CYP17A1 (0.76) FNTAFNTBCYP19A1CYP17A1CNR1
SCHEMBL10693298 0.75 CYP19A1 (1.00) CYP19A1CYP17A1CNR1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6914066-B2 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-05 US disclosed
CN-1178938-C 1,2-annelated quinoline derivatives ղɭҩҵ���޹�˾ 2004-12-08 CN disclosed
US-20030119843-A1 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA, N.V. 2003-06-26 US disclosed
EP-1140935-B1 1,2-ANNELATED QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-05-14 EP disclosed
US-6458800-B1 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-01 US disclosed
CN-1331693-A 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN disclosed
EP-1140935-A2 1,2-ANNELATED QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-10-10 EP disclosed
WO-2000039082-A2 1,2-ANNELATED QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-06 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-20030119843-A1 1,2-annelated quinoline derivatives NAT1, CYP7A1, CYP4A11 FNTA 19/4885FNTB 27/4885CYP19A1 549/4885

“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.