SCHEMBL6401657

SCHEMBL6401657

O=C(NN1CN(c2ccccc2)CCC1=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.53
CNR1 P21554 1/20 0.48
NHERF1 O14745 2/20 0.47
IDO1 P14902 1/20 0.47
GUSB P08236 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
APP P05067 1/20 0.46
PYGL P06737 6/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
PYGM P11217 4/20 0.45
EGFR P00533 1/20 0.45
CYP51A1 Q16850 2/20 0.44

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
SCHEMBL6400106 0.81 HRH4 (0.55) HRH4NHERF1IDO1GUSBMEN1
SCHEMBL6400290 0.80 HRH4 (0.53) HRH4NHERF1IDO1GUSBMEN1
SCHEMBL6400322 0.76 HRH4 (0.53) HRH4NHERF1IDO1GUSBMEN1
SCHEMBL6400096 0.75 HRH4 (0.51) HRH4NHERF1IDO1GUSBMEN1
SCHEMBL6399693 0.71 HRH4 (0.57) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6400051 0.70 HRH4 (0.53) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL6399564 0.70 HRH4 (0.52) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL31058769 0.69 NHERF1 (0.78) NHERF1GUSBMEN1KMT2ANPC1
SCHEMBL6407409 0.69 HRH4 (0.54) HRH4NHERF1GUSBMEN1KMT2A
SCHEMBL17149647 0.67 PYGL (0.65) NHERF1GUSBMEN1KMT2ANPC1

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 2 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 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 HRH4 1853/4885CNR1 259/4885NHERF1 332/4885

“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.