SCHEMBL5545688

SCHEMBL5545688

O=C(c1ccc(NC(=O)C(Cl)(Cl)Cl)c(C(=O)c2cccc(Cl)c2)c1)c1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLK1 P53350 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
HTT P42858 2/20 0.43
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
RAPGEF3 O95398 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL3555488 0.81 MAPT (0.48) KMT2ARAB9AHTTMAPTALDH1A1
SCHEMBL5545658 0.81 DOT1L (0.60) DOT1LMEN1KMT2AL3MBTL1PLK1
SCHEMBL3555862 0.80 TP53 (0.50) KMT2ARAB9AHTTMAPTALDH1A1
SCHEMBL5656080 0.80 MAPT (0.50) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL3552210 0.77 ALDH1A1 (0.54) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL5023776 0.76 ALDH1A1 (0.59) HTTMAPTALDH1A1GAASMN1; SMN2
SCHEMBL5655125 0.76 RAB9A (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5023284 0.75 PRSS12 (0.43) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL15619646 0.74 DOT1L (0.51) DOT1LMEN1KMT2AL3MBTL1PLK1
SCHEMBL15619322 0.73 MEN1 (0.50) DOT1LMEN1KMT2AL3MBTL1PLK1

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-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
US-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-06 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 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-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives FNTA, FNTB, RCE1 DOT1L 1987/4885MEN1 1318/4885KMT2A 2337/4885

“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.