SCHEMBL5782115

SCHEMBL5782115

Cc1cccc(NC(=O)c2cc(=O)[nH]c3ccc(C(=O)c4ccc(Cl)cc4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 4/20 0.66
MAPT P10636 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
KCNK3 O14649 2/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPKAPK2 P49137 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NHERF1 O14745 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44

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
Water SCHEMBL5782423 0.90 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPKAPK2MAPK1
SCHEMBL5780432 0.78 RXFP1 (0.52) KMT2AMEN1MAPTRXFP1MAPK1
SCHEMBL5756770 0.76 KDM4E (0.53) KMT2AMEN1RXFP1ALDH1A1MAPK1
SCHEMBL6992541 0.75 KMT2A (0.43) KMT2AMEN1MAPTRXFP1ALDH1A1
SCHEMBL21133083 0.74 KCNK3 (0.86) KMT2AMEN1MAPTRXFP1KCNK3
SCHEMBL5758311 0.72 LMNA (0.47) KMT2AMEN1RXFP1MAPK1
SCHEMBL17025452 0.71 KDM4E (0.49) KMT2AMEN1RXFP1ALDH1A1MAPK1
SCHEMBL1538310 0.70 MEN1 (0.59) KMT2AMEN1RXFP1MAPK1KDM4E
SCHEMBL27306759 0.70 PTGS2 (0.68) KMT2AMEN1MAPTKCNK3ALDH1A1
SCHEMBL7271928 0.69 CNR2 (0.60) KMT2AMEN1MAPTKCNK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129356-B2 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-31 US disclosed
EP-1347966-B1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-08 EP disclosed
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-01 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-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives FNTA, FNTB, CYP7A1 KMT2A 2487/4885MEN1 1707/4885MAPT 3759/4885

“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.