SCHEMBL6402489

SCHEMBL6402489

Cc1ccc(S(=O)(=O)OC(=O)Nc2ccccc2C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 3/20 0.56
BCAT1 P54687 5/20 0.55
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
PYGL P06737 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GUSB P08236 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
SCHEMBL6402485 0.85 NHERF1 (0.60) NHERF1BCAT1TP53POLBKDM4E
SCHEMBL6402193 0.83 NHERF1 (0.68) NHERF1BCAT1KDM4EALDH1A1MAPT
SCHEMBL6400996 0.80 NHERF1 (0.76) NHERF1BCAT1KDM4EPYGLMEN1
SCHEMBL6401120 0.79 NHERF1 (0.71) NHERF1BCAT1KDM4EALDH1A1MAPT
SCHEMBL6404730 0.79 BCAT1 (0.54) NHERF1BCAT1KDM4EHRH4PYGL
SCHEMBL6404154 0.78 BCAT1 (0.53) NHERF1BCAT1TP53POLBKDM4E
SCHEMBL6399942 0.78 NHERF1 (0.69) NHERF1BCAT1KDM4EHRH4PYGL
SCHEMBL6399045 0.77 NHERF1 (0.65) NHERF1BCAT1KDM4EPYGLMEN1
SCHEMBL6404675 0.77 TP53 (0.67) NHERF1TP53POLBKDM4ERXFP1
SCHEMBL6406416 0.77 BCAT1 (0.67) NHERF1BCAT1KDM4EMAPTHRH4

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-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 NHERF1 332/4885BCAT1 854/4885TP53 1043/4885

“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.