SCHEMBL3076869

SCHEMBL3076869

NNC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.79
MEN1 O00255 9/20 0.79
MAPT P10636 5/20 0.79
LMNA P02545 4/20 0.79
ALDH1A1 P00352 3/20 0.79
HTT P42858 2/20 0.79
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
GAA P10253 1/20 0.64
IDO1 P14902 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HTR3E A5X5Y0 1/20 0.58

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
Hydrochloric Acid SCHEMBL5126252 0.98 KMT2A (0.76) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2682054 0.88 KMT2A (1.00) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL29077780 0.83 MEN1 (0.89) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL29556162 0.83 MEN1 (0.89) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL11476205 0.83 KMT2A (0.81) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL10344695 0.83 MEN1 (1.00) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL29533340 0.83 MEN1 (1.00) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4555351 0.82 NPC1 (0.69) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL11049956 0.81 MEN1 (0.85) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL8830833 0.81 KMT2A (0.79) KMT2AMEN1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
EP-0474817-B1 BICYCLO [3.3.0]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 1995-10-11 EP disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
EP-0474817-A1 BICYCLO 3.3.)]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE. SCHERING AG (DE) 1992-03-18 EP disclosed
WO-1991014675-A1 BICYCLO[3.3.)]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed
EP-0219451-B1 SEMICARBAZONES AND THIOSEMICARBAZONES SANDOZ AG (CH) 1991-03-20 EP disclosed
EP-0219451-A1 Semicarbazones and thiosemicarbazones SANDOZ AG (CH) 1987-04-22 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-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C KMT2A 3999/4885MEN1 1208/4885MAPT 1289/4885

“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.