SCHEMBL2301797

SCHEMBL2301797

NC(=O)c1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PARP1 P09874 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TTR P02766 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TP53 P04637 1/20 0.41
SIRT2 Q8IXJ6 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
Nitromide SCHEMBL193674 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL3087777 0.86 CYP3A4 (0.91) CYP3A4SMN1; SMN2TSHRLMNAGAA
Nitromide SCHEMBL17803670 0.84 CYP3A4 (0.96) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL410432 0.83 TP53 (0.55) CYP3A4SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL1363427 0.81 ALDH1A1 (0.56) CYP3A4SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL15542206 0.81 ALDH1A1 (0.56) CYP3A4SMN1; SMN2TSHRLMNAPOLB
SCHEMBL28203192 0.80 SMN1; SMN2 (0.62) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL27932455 0.80 TP53 (0.51) CYP3A4SMN1; SMN2TSHRLMNAPOLB
SCHEMBL1718794 0.79 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL3662651 0.79 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I CYP3A4 2085/4885SMN1; SMN2 444/4885TSHR 4164/4885

“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.