SCHEMBL124556

SCHEMBL124556

COc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.54
MAPT P10636 8/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.51
EPAS1 Q99814 1/20 0.51
HPGD P15428 3/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
TTR P02766 2/20 0.46

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
SCHEMBL2034628 0.87 HTT (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2529627 0.85 ALDH1A1 (0.67) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL30222321 0.84 MEN1 (0.59) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL3811331 0.84 MEN1 (0.59) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL14861188 0.84 TBXA2R (0.54) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL3845633 0.83 MEN1 (0.67) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL13860469 0.82 HSD17B10 (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22069596 0.82 HSPB1 (0.56) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL14861079 0.82 HTT (0.48) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2034854 0.82 PPARG (0.50) MAPTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TBXA2R 2775/4885MAPT 4265/4885MEN1 2072/4885

“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.