SCHEMBL7075396

SCHEMBL7075396

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.73
KMT2A Q03164 10/20 0.73
MAPT P10636 6/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
ALDH1A1 P00352 2/20 0.68
THRA P10827 1/20 0.64
SETD7 Q8WTS6 1/20 0.62
POLB P06746 2/20 0.60
BLM P54132 1/20 0.60
HTT P42858 1/20 0.59
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
LMNA P02545 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL13622963 0.94 MEN1 (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL23898931 0.86 NAMPT (0.61) MEN1KMT2ANPC1RAB9AALDH1A1
Dinitrophenylene SCHEMBL27983378 0.85 MAPT (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3222110 0.84 SMN1; SMN2 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31135773 0.84 SMN1; SMN2 (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL29218291 0.84 MAPT (0.65) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13623004 0.82 SENP5 (0.54) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL28242373 0.82 MAPT (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8711130 0.82 MEN1 (0.86) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1532248 0.81 KMT2A (0.59) MEN1KMT2AMAPTNPC1RAB9A

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 2957/4885MAPT 3898/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MEN1 4755/4885KMT2A 2484/4885MAPT 3272/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MEN1 4601/4885KMT2A 1121/4885MAPT 4129/4885

“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.