SCHEMBL6406524

SCHEMBL6406524

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.58
NHERF1 O14745 2/20 0.57
BCAT1 P54687 4/20 0.57
TLR7 Q9NYK1 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GUSB P08236 4/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
IL1R1 P14778 1/20 0.53
PRKCA P17252 1/20 0.53
TNFRSF1A P19438 1/20 0.53
PRKCH P24723 1/20 0.53
PRKCI P41743 1/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCZ Q05513 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
SCHEMBL6404660 0.92 PYGL (0.53) PYGLNHERF1BCAT1TLR7MEN1
SCHEMBL6400879 0.85 KDM4E (0.57) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6404649 0.82 F7 (0.52) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6400432 0.80 TLR7 (0.60) PYGLNHERF1BCAT1TLR7MEN1
SCHEMBL6401919 0.80 NHERF1 (0.58) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6401177 0.80 KDM4E (0.68) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL4938802 0.80 F7 (0.55) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6399555 0.79 IDO1 (0.47) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6399942 0.79 NHERF1 (0.69) PYGLNHERF1BCAT1MEN1KMT2A
SCHEMBL6405713 0.79 MAPT (0.70) PYGLNHERF1BCAT1MEN1KMT2A

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 PYGL 96/4885NHERF1 332/4885BCAT1 854/4885

“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.