SCHEMBL6399657

SCHEMBL6399657

Nc1cccc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 4/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
BCAT1 P54687 3/20 0.53
MAPT P10636 2/20 0.52
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
GUSB P08236 2/20 0.51
SMYD3 Q9H7B4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PYGL P06737 2/20 0.49

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
SCHEMBL6404723 0.90 NHERF1 (0.62) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6400519 0.87 BCAT1 (0.56) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6407379 0.85 BCAT1 (0.67) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6400591 0.85 GUSB (0.61) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6405713 0.83 MAPT (0.70) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6400859 0.82 PYGL (0.56) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6405074 0.82 MAPT (0.72) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6406653 0.82 MEN1 (0.75) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6400655 0.81 NHERF1 (0.69) NHERF1MEN1KMT2ANPC1RAB9A
SCHEMBL6401667 0.81 NHERF1 (0.58) NHERF1MEN1KMT2ANPC1RAB9A

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 332/4885MEN1 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.