SCHEMBL5635637

SCHEMBL5635637

O=Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
AHR P35869 1/20 0.43
TNKS O95271 1/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
PTGS2 P35354 1/20 0.42
CNR1 P21554 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL2062029 0.83 PTGS2 (0.54) AHRPTGS2CNR1
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.82 ESR1 (0.55) AHRPTGS2
SCHEMBL5636398 0.80 CCNB2 (0.54) AHRPTGS2
SCHEMBL2559637 0.80 PTGS2 (0.55) KIF11AHRTNKS2PTGS2
SCHEMBL29951958 0.80 MAPK14 (0.51) AHRCNR1
SCHEMBL2062446 0.80 MAPK14 (0.51) AHRCNR1
SCHEMBL28906365 0.78 HTR2A (0.50) KIF11MGAMGAASIMGAM2
SCHEMBL14519076 0.78 GSK3B (0.53) KIF11GAAAHRTNKSTNKS2
SCHEMBL27549075 0.76 KIF11 (0.51) KIF11MGAMGAASIMGAM2
SCHEMBL5636554 0.76 KIF11 (0.47) KIF11AHRCNR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 KIF11 4162/4885MGAM 2241/4885GAA 4334/4885

“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.