SCHEMBL5548740

SCHEMBL5548740

OC(c1ccc2ncccc2c1)c1ccc2noc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
TGFBR1 P36897 1/20 0.41
TGFBR2 P37173 1/20 0.41
MET P08581 1/20 0.40
IP6K1 Q92551 5/20 0.38
IP6K3 Q96PC2 5/20 0.38
IP6K2 Q9UHH9 5/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 1/20 0.38
PIM1 P11309 1/20 0.38
KCNA5 P22460 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL3551493 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL3561176 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL5545666 0.81 DOT1L (0.54) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5668301 0.79 MAPT (0.47) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL31023643 0.74 NPC1 (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1757999 0.70 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL8917474 0.69 MET (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29080634 0.69 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL6012040 0.67 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDMAPTMEN1
SCHEMBL13208416 0.67 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDMAPTMEN1

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 ALDH1A1 1202/4885SMN1; SMN2 4881/4885HPGD 1704/4885

“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.