SCHEMBL5273697

SCHEMBL5273697

Nc1c(N=O)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LOX P28300 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL5202612 0.83 RAB9A (0.50) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2119714 0.83 RAB9A (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5414203 0.81 NPBWR1 (0.44) LMNASMN1; SMN2ALDH1A1PKM
Hydrochloric Acid SCHEMBL11094598 0.81 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5274776 0.80 MAPK14 (0.53) RAB9ANPC1KMT2APTGS1PTGS2
Hydrochloric Acid SCHEMBL5405647 0.78 MAPK14 (0.52) RAB9ANPC1KMT2APTGS1PTGS2
SCHEMBL2988609 0.77 RAB9A (0.56) RAB9ANPC1MEN1KMT2APTGS1
SCHEMBL5408685 0.73 PTGS2 (0.51) RAB9ANPC1MEN1KMT2APTGS1
SCHEMBL5408682 0.73 PTGS2 (0.51) RAB9ANPC1MEN1KMT2APTGS1
SCHEMBL2804588 0.72 RIPK2 (0.71) RAB9ANPC1MEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408025-B1 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME UBE INDUSTRIES (JP) 2007-11-21 EP disclosed
US-7256304-B2 Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2007-08-14 US disclosed
US-7227032-B2 3,3-dialkoxy-2-hydroxyiminopropionitriles, process for preparation thereof and process of preparing 5-amino-4-nitrosopyrazoles or salts thereof by the use of the same UBE INDUSTRIES, LTD. (JP) 2007-06-05 US disclosed
US-20050096472-A1 Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-05-05 US disclosed
EP-1475369-A1 PROCESS FOR PRODUCING 3-UNSUBSTITUTED 5-AMINO-4-NITROSOPYRAZOLE COMPOUND, AND 2-HYDROXYIMINO-3-OXOPROPIONITRILE, 3-HYDRAZONO-2-HYDROXYIMINOPROPIONITRILE COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2004-11-10 EP disclosed
US-20040116732-A1 3,3-Dialkoxy-2-hydroxyiminopropionitriles, process for preparation thereof and process of preparing 5-amino-4-nitrosopyrazoles or salts thereof by the use of the same UBE INDUSTRIES, LTD. (JP) 2004-06-17 US disclosed
EP-1408025-A1 3,3-DIALKOXY-2-HYDROXYIMINOPROPIONITRILES, PROCESS FOR PREPARATION THEREOF AND PROCESS OF PREPARING 5-AMINO -4-NITROSOPYRAZOLES OR SALTS THEREOF BY THE USE OF THE SAME Ube Industries, Ltd. (JP) 2004-04-14 EP 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-20050096472-A1 Process for producing 3-unsubstituted 5-amino-4-nitrosopyrazole compound, and 2-hydroxyimino-3-oxopropionitrile, 3-hydrazono-2-hydroxyiminopropionitrile compound, and processes for producing these CYP1A1, CYP2E1, NOS3 RAB9A 3553/4885NPC1 3817/4885MEN1 1057/4885

“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.