SCHEMBL2929136

SCHEMBL2929136

CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 4/20 0.49
SLC9A1 P19634 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL5203193 0.93 GAA (0.55) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL11237157 0.91 POLB (0.60) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL10936842 0.90 MAPT (0.55) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL14903460 0.88 RECQL (0.57) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL29725300 0.88 RECQL (0.57) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL21723616 0.88 GAA (0.50) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL11525234 0.85 SLC9A1 (0.50) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4149265 0.85 LMNA (0.48) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL11638099 0.85 POLB (0.48) NPSR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2972082 0.85 SLC9A1 (0.60) NPSR1ALDH1A1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625215-B1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2023-09-13 EP disclosed
US-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2020-05-14 US disclosed
US-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2020-05-14 US disclosed
EP-3625215-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI Industries Ltd (IN) 2020-03-25 EP disclosed
CN-110770210-A Novel amidine compounds PI工业有限公司 2020-02-07 CN disclosed
WO-2018211442-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2018-11-22 WO disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 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-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PADI4, PADI1, PADI2 NPSR1 2530/4885ALDH1A1 2717/4885SMN1; SMN2 4417/4885

“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.