SCHEMBL4169075

SCHEMBL4169075

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABCG2 Q9UNQ0 5/20 0.45
ABCB1 P08183 1/20 0.45
HDAC2 Q92769 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
PHGDH O43175 1/20 0.40
MET P08581 1/20 0.40
DDX3X O00571 1/20 0.40

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
SCHEMBL11930691 0.84 ALDH1A1 (0.57) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL4171408 0.82 ALDH1A1 (0.54) KMT2AALDH1A1MEN1GAAMAPK1
SCHEMBL4166631 0.81 CHRM3 (0.49) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL4453379 0.81 ALDH1A1 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL1134839 0.80 CHRM3 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL13455819 0.80 ALDH1A1 (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL344392 0.80 CHRM3 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL29445384 0.79 CHRM3 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL1134827 0.79 CHRM3 (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4449334 0.79 ALDH1A1 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 US claimed
US-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides BASF AKITENGESELLSCHAFT (DE) 2009-09-17 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-20090233795-A1 Fungicidal Mixtres Based On 3-Monosubstituted N-Bipenyl-Pyrazolecarboxamides CBR3, CBR1, CYCS KMT2A 1368/4885ALDH1A1 2391/4885MEN1 1414/4885

“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.