SCHEMBL674618

SCHEMBL674618

ON=C(OC(=NO)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
CYP2C19 P33261 2/20 0.41
F2 P00734 2/20 0.40
F10 P00742 1/20 0.40
F12 P00748 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
HPGD P15428 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GFER P55789 1/20 0.38
RECQL P46063 2/20 0.37

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
SCHEMBL11208437 0.84 LMNA (0.52) GAACYP2C19F2PKMLMNA
SCHEMBL11146604 0.83 LMNA (0.50) GAACYP2C19F2PKMLMNA
SCHEMBL3891716 0.83 LMNA (0.37) GAACYP2C19ATMLMNATSHR
SCHEMBL8530450 0.80 TSHR (0.48) GAACYP2C19F2F10F12
SCHEMBL8530447 0.80 TSHR (0.48) GAACYP2C19F2F10F12
SCHEMBL27951978 0.77 NPSR1 (0.45) GAALMNATSHRALDH1A1KMT2A
SCHEMBL6920338 0.75 MEN1 (0.44) GAAATMLMNATSHRALDH1A1
SCHEMBL10361994 0.75 GAA (0.44) GAACYP2C19F2F10F12
SCHEMBL28863986 0.73 TDP1 (0.55) LMNATSHRALDH1A1HPGDKMT2A
SCHEMBL9710233 0.71 PLA2G7 (0.61) LMNAKMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067337-B2 Agricultural chemical composition KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2011-11-29 US disclosed
US-20090105078-A1 Agricultural chemical composition KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2009-04-23 US disclosed
EP-1776863-A1 AGRICULTURAL CHEMICAL COMPOSITION KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-04-25 EP disclosed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed
US-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
US-5175289-A Antidotes for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-5041157-A Protecting soybeans or cereals CIBA-GEIGY CORPORATION (US) 1991-08-20 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-20090105078-A1 Agricultural chemical composition PDXK, DDT, SYMPK GAA 652/4885CYP2C19 206/4885F2 3546/4885

“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.