SCHEMBL6400591

SCHEMBL6400591

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GUSB P08236 5/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NHERF1 O14745 4/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.55
BCAT1 P54687 4/20 0.53
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51

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
SCHEMBL6399066 0.91 GUSB (0.57) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6404723 0.90 NHERF1 (0.62) GUSBMEN1KMT2ARXFP1NHERF1
Hydrochloric Acid SCHEMBL6398765 0.90 GUSB (0.56) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6407104 0.86 RXFP1 (0.74) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6407379 0.85 BCAT1 (0.67) GUSBMEN1KMT2ANHERF1NPC1
SCHEMBL6399657 0.85 NHERF1 (0.58) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6405094 0.85 GUSB (0.58) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6405074 0.85 MAPT (0.72) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6401011 0.84 MEN1 (0.61) GUSBMEN1KMT2ARXFP1NHERF1
SCHEMBL6405713 0.83 MAPT (0.70) GUSBMEN1KMT2ARXFP1NHERF1

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 GUSB 171/4885MEN1 1510/4885KMT2A 673/4885

“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.