SCHEMBL15547417

SCHEMBL15547417

Nc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 1/20 0.68
HTT P42858 1/20 0.68
RAB9A P51151 1/20 0.68
RORC P51449 11/20 0.67
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 2/20 0.60
PPARG P37231 2/20 0.60
ALOX15 P16050 1/20 0.60
PPARA Q07869 1/20 0.60
TP53 P04637 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL7129183 0.87 SMN1; SMN2 (0.69) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL7263545 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL29568686 0.81 RORC (1.00) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL14671422 0.81 RORC (1.00) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL2585157 0.80 TP53 (0.82) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL7121694 0.80 RORC (0.69) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL7129165 0.78 SMN1; SMN2 (0.59) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL7123389 0.78 RORC (0.61) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL3309519 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1HTTRAB9ARORC
SCHEMBL7128951 0.77 SMN1; SMN2 (0.76) SMN1; SMN2NPC1HTTRAB9ARORC

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-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO SMN1; SMN2 4566/4885NPC1 1208/4885HTT 1325/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO SMN1; SMN2 4566/4885NPC1 1208/4885HTT 1325/4885

“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.