SCHEMBL4932753

SCHEMBL4932753

O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 5/20 0.54
MAPT P10636 1/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
BCAT1 P54687 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PYGL P06737 2/20 0.51
GUSB P08236 2/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
SMYD3 Q9H7B4 1/20 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
SCHEMBL6401919 0.86 NHERF1 (0.58) NHERF1MAPTF7F3MEN1
SCHEMBL6405713 0.85 MAPT (0.70) NHERF1MAPTF7F3MEN1
SCHEMBL6401780 0.84 MAPT (0.56) NHERF1MAPTF7F3MEN1
SCHEMBL4938802 0.83 F7 (0.55) NHERF1F7F3MEN1KMT2A
SCHEMBL4937626 0.82 IDO1 (0.54) NHERF1F7F3MEN1KMT2A
SCHEMBL6404723 0.82 NHERF1 (0.62) NHERF1MAPTF7F3MEN1
SCHEMBL6407104 0.81 RXFP1 (0.74) NHERF1MAPTF7F3MEN1
SCHEMBL6400179 0.81 NHERF1 (0.62) NHERF1MAPTF7F3MEN1
SCHEMBL6400062 0.80 MEN1 (0.58) NHERF1MAPTF7F3MEN1
SCHEMBL6400879 0.79 KDM4E (0.57) NHERF1MAPTF7F3MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188472-A1 Indole-2-Carboxylic Acid Hydrazides PROSIDION LIMITED (GB) 2008-08-07 US disclosed
US-20080188472-A1 Indole-2-Carboxylic Acid Hydrazides PROSIDION LIMITED (GB) 2008-08-07 US disclosed
US-20080188472-A1 Indole-2-Carboxylic Acid Hydrazides PROSIDION LIMITED (GB) 2008-08-07 US 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-20080188472-A1 Indole-2-Carboxylic Acid Hydrazides PYGL, PYGM, CPT1A NHERF1 624/4885MAPT 2417/4885F7 3860/4885

“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.