SCHEMBL13802470

SCHEMBL13802470

O=C(O)c1cc(NCc2cccc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HTR6 P50406 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
APEX1 P27695 1/20 0.44
DTYMK P23919 1/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL1403529 0.83 APEX1 (0.50) HPGDALDH1A1GAAAPEX1MRGPRX4
SCHEMBL4217682 0.76 MAPT (0.77) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL586740 0.76 DTYMK (0.48) MAPTALDH1A1POLBHTR6KMT2A
SCHEMBL11248670 0.75 HIF1A (0.58) MAPTPOLBMRGPRX4
SCHEMBL7373815 0.75 CDK5 (0.53) CYP1A2CYP3A4HPGDCYP2C19MAPT
SCHEMBL1403476 0.74 KMT2A (0.48) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL475545 0.74 HTR6 (0.57) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL79163 0.74 DTYMK (0.62) CYP1A2CYP3A4HPGDCYP2C19ALDH1A1
SCHEMBL13802457 0.74 MRGPRX4 (0.63) NPC1RAB9AMRGPRX4
Hydrochloric Acid SCHEMBL1748343 0.73 HTR6 (0.59) CYP1A2CYP3A4CYP2C19MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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 (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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CYP1A2 461/4885CYP3A4 1396/4885HPGD 2164/4885

“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.