SCHEMBL7076501

SCHEMBL7076501

O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 5/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 5/20 0.57
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
NFKB1 P19838 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
NFKB2 Q00653 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
RELA Q04206 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
THRB P10828 1/20 0.56
CA2 P00918 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
SCHEMBL7568757 0.84 MAPT (0.53) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL5123738 0.81 ALDH1A1 (0.77) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL18906018 0.79 ALDH1A1 (0.69) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL11615300 0.78 RAB9A (0.74) MAPTKMT2AHPGDMEN1LMNA
SCHEMBL6961817 0.78 CA2 (0.68) KMT2AMEN1POLBTHRBCA2
SCHEMBL16266238 0.77 ALDH1A1 (1.00) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL552230 0.77 ALDH1A1 (0.65) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL13219583 0.76 PTPN1 (0.75) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL26644596 0.75 ALDH1A1 (0.68) KMT2AALDH1A1HPGDMEN1
SCHEMBL29190985 0.75 ALDH1A1 (0.63) MAPTKMT2AALDH1A1HPGDMEN1

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 MAPT 3898/4885KMT2A 2957/4885ALDH1A1 3447/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885KMT2A 2484/4885ALDH1A1 3620/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885KMT2A 1121/4885ALDH1A1 3601/4885

“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.