SCHEMBL5025319

SCHEMBL5025319

Cc1cc(N2CCCC2)c2ccc(NCc3cccs3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.54
ALDH1A1 P00352 10/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 8/20 0.50
NCF1 P14598 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 7/20 0.48
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
HPGD P15428 4/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX15 P16050 2/20 0.46

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
SCHEMBL6893162 0.85 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5024461 0.83 NCF1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5028716 0.81 NCF1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5024413 0.81 NCF1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5028620 0.81 NCF1 (0.55) SMN1; SMN2HTTNCF1LMNAHSD17B10
SCHEMBL5024554 0.80 NCF1 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5022553 0.80 NCF1 (0.51) KDM4EALDH1A1NPC1RAB9AHTT
SCHEMBL5022695 0.80 NCF1 (0.51) KDM4EALDH1A1HTTMAPTNCF1
SCHEMBL5025398 0.79 NCF1 (0.56) HTTNCF1LMNAHSD17B10MEN1
SCHEMBL5024407 0.79 NCF1 (0.50) KDM4ESMN1; SMN2HTTMAPTNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP claimed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US claimed
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R KDM4E 2067/4885ALDH1A1 1477/4885NPC1 172/4885

“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.