SCHEMBL6398652

SCHEMBL6398652

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 6/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
PYGL P06737 6/20 0.58
BCAT1 P54687 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
GUSB P08236 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGFR P00533 1/20 0.53

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
SCHEMBL6406396 0.92 MEN1 (0.67) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6401044 0.91 NHERF1 (0.64) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL31058769 0.88 NHERF1 (0.78) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6402129 0.88 RXFP1 (0.80) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6401011 0.87 MEN1 (0.61) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6399928 0.85 NHERF1 (0.64) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL4935687 0.85 CNR1 (0.61) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6400377 0.83 NHERF1 (0.61) NHERF1MEN1KMT2ARXFP1PYGL
SCHEMBL6404599 0.82 NHERF1 (0.57) NHERF1MEN1KMT2APYGLBCAT1
SCHEMBL6400996 0.81 NHERF1 (0.76) NHERF1MEN1KMT2ARXFP1PYGL

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.