SCHEMBL7210871

SCHEMBL7210871

O=C(/C=C/c1cccc(Cl)c1)N1CCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
RAB9A P51151 8/20 0.74
NPC1 O15118 6/20 0.74
MAPT P10636 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
KDM4E B2RXH2 1/20 0.74
STAT1 P42224 1/20 0.74
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
PKM P14618 2/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 2/20 0.56
CHRNA7 P36544 1/20 0.56
LMNA P02545 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL7210881 1.00 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7204653 0.93 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7204650 0.93 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4432835 0.86 RAB9A (0.56) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4432837 0.86 RAB9A (0.56) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28195698 0.85 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13556270 0.81 RAB9A (0.72) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7203952 0.80 POLB (0.53) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7203950 0.80 POLB (0.53) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1590018 0.77 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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
EP-0970079-B1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA NV (BE) 2003-10-01 EP disclosed
US-6444812-B1 SUCH AS 7-(3-CHLOROPHENYL)-9-((4-CHLOROPHENYL)-1H-IMIDAZOL-1-YLMETHYL)-2,3-DIHYDRO -1H,5H-BENZO(IJ) QUINOLIZIN-5-ONE; FOR FORMING ONCOGENES FOR SIGNALLING TRANSFORMATION OF TUMOR CELLS JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-03 US disclosed
US-20020049327-A1 Farnesyl transferase inhibiting 1,8-annelated quinolinone derivatives substituted with N- or C-linked imidazoles VENET MARC GASTON (FR) 2002-04-25 US disclosed
US-6187786-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-13 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-20020049327-A1 Farnesyl transferase inhibiting 1,8-annelated quinolinone derivatives substituted with N- or C-linked imidazoles HCCS, CYP7A1, DHCR7 ALDH1A1 533/4885RAB9A 917/4885NPC1 211/4885

“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.