SCHEMBL7074333

SCHEMBL7074333

Nc1cc(Cl)cc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FADS1 O60427 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GRM4 Q14833 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL26623605 0.87 L3MBTL1 (0.49) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL7080547 0.87 L3MBTL1 (0.53) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL3867385 0.83 L3MBTL1 (0.50) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL20051293 0.81 CA2 (0.44) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL18055786 0.81 GRM4 (0.49) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL23465366 0.79 L3MBTL1 (0.46) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL5108428 0.79 GPR35 (0.50) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL8952429 0.78 MEN1 (0.47) MEN1KMT2AFADS1TP53CYP3A4
SCHEMBL19022297 0.77 L3MBTL1 (0.44) MEN1KMT2ALMNAL3MBTL1CA12
SCHEMBL3122646 0.77 ALDH1A1 (0.55) MEN1KMT2ALMNACYP2C19FADS1

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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MEN1 4810/4885KMT2A 2957/4885LMNA 4701/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MEN1 4755/4885KMT2A 2484/4885LMNA 4433/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MEN1 4601/4885KMT2A 1121/4885LMNA 4692/4885

“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.