SCHEMBL4976406

SCHEMBL4976406

NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.40
PLA2G10 O15496 2/20 0.40
PLA2G2A P14555 2/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL10318607 0.84 ALDH1A1 (0.44) KMT2ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL31546617 0.84 KMT2A (0.44) KMT2ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL28119816 0.80 KMT2A (0.49) KMT2AALDH1A1ATMPLA2G10PLA2G2A
SCHEMBL28681774 0.77 PLA2G2A (0.57) KMT2ACYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL15869602 0.77 NPC1 (0.46) KMT2ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1083632 0.76 CTSD (0.49) KMT2ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1455321 0.76 KMT2A (0.48) KMT2ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6573663 0.76 KMT2A (0.57) KMT2ACYP3A4SMN1; SMN2ALDH1A1POLB
SCHEMBL3406146 0.76 KMT2A (0.44) KMT2ACYP3A4SMN1; SMN2MEN1POLB
SCHEMBL10980469 0.73 TSHR (0.50) CYP1A2CYP2C19SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA KMT2A 869/4885CYP1A2 124/4885CYP3A4 342/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD KMT2A 2283/4885CYP1A2 1767/4885CYP3A4 1650/4885

“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.