SCHEMBL6399358

SCHEMBL6399358

O=C(NNC(=O)c1ccco1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
POLB P06746 1/20 0.66
NHERF1 O14745 5/20 0.55
PYGL P06737 7/20 0.54
BCAT1 P54687 3/20 0.54
EGFR P00533 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6400504 0.91 KMT2A (0.61) KMT2APOLBNHERF1PYGLBCAT1
SCHEMBL1203032 0.83 KMT2A (0.47) KMT2APOLBPYGLMEN1NPC1
SCHEMBL6400081 0.79 PYGL (0.61) KMT2ANHERF1PYGLBCAT1EGFR
SCHEMBL6405713 0.79 MAPT (0.70) KMT2ANHERF1PYGLBCAT1F7
SCHEMBL6400508 0.78 BCAT1 (0.50) KMT2APOLBNHERF1PYGLBCAT1
SCHEMBL6400345 0.78 BCAT1 (0.63) KMT2ANHERF1PYGLBCAT1F7
SCHEMBL6400561 0.78 ATM (0.59) KMT2ANHERF1PYGLBCAT1F7
SCHEMBL6404723 0.78 NHERF1 (0.62) KMT2ANHERF1PYGLBCAT1F7
SCHEMBL6400673 0.78 NHERF1 (0.53) KMT2ANHERF1PYGLBCAT1F7
SCHEMBL4938802 0.77 F7 (0.55) KMT2ANHERF1PYGLBCAT1F7

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-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
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2005-02-17 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 (2 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 KMT2A 673/4885POLB 4755/4885NHERF1 332/4885
US-20050037919-A1 Metallocenes and catalyst compositions derived therefrom HMOX1, RTF1, OPRM1 KMT2A 2479/4885POLB 908/4885NHERF1 401/4885

“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.