SCHEMBL4453029

SCHEMBL4453029

c1ccc(Nc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
EGFR P00533 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
AURKB Q96GD4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL4453028 0.92 F2 (0.40) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4470351 0.90 IKBKB (0.42) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4460180 0.88 ENPP3 (0.35) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4466562 0.87 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4461716 0.86 SYK (0.40) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4456883 0.86 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4456488 0.86 ENPP3 (0.35) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4456536 0.86 SYK (0.37) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4464942 0.85 SCN5A (0.36) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4686964 0.85 MCL1 (0.46) RAB9ANPC1SMN1; SMN2TP53TSHR

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-7534805-B2 Imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-19 US disclosed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 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-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments MIF, MCL1, PPIP5K2 RAB9A 2552/4885NPC1 512/4885SMN1; SMN2 4745/4885

“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.