SCHEMBL7795446

SCHEMBL7795446

N=C(NCc1ccc(Cl)nc1)N[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
NAMPT P43490 2/20 0.44
CYP2C9 P11712 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
FAAH O00519 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
CASP6 P55212 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
SCHEMBL9843175 0.81 CHRNB2 (0.45) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL9727921 0.80 CHRNB2 (0.42) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL7663609 0.76 CYP2C9 (0.44) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL7769614 0.76 HTT (0.54) NAMPTMAPTALDH1A1SMN1; SMN2
SCHEMBL7639531 0.76 NAMPT (0.44) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL9047024 0.75 FPR2 (0.44) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL9047032 0.75 FPR2 (0.44) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1
SCHEMBL10384368 0.75 MEN1 (0.48) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL9504024 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CYP2C9MAPTALDH1A1
SCHEMBL2973540 0.75 FAAH (0.42) CHRNB2CHRNA4NAMPTCYP2C9L3MBTL1

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-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US claimed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP claimed
US-20010046994-A1 Hexahydrotriazine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 2001-11-29 US disclosed
US-6187773-B1 1-(2-CHLORO-5-PYRIDYLMETHYL)-3,5-DIMETHYL-2-NITROIMINOHEXA-HYD RO-1,3,5-TRIAZINE; NONPHYTOTOXIC AGRO-KANESHO CO., LTD. (JP) 2001-02-13 US disclosed
CN-1050600-C Hexahydrotriazine compounds and insecticides AGRO KANESHO CO LTD (JP) 2000-03-22 CN disclosed
EP-0428941-B1 Hexahydrotriazine compounds and insecticides AGRO KANESHO CO LTD (JP) 1995-05-03 EP disclosed
CN-1098719-A The preparation method of Hexahydrotriazine compounds AGRO KANESHO CO LTD (JP) 1995-02-15 CN disclosed
CN-1026648-C Pesticide containing hexahydrotriazine compound AGRO KANESHO CO LTD (JP) 1994-11-23 CN disclosed
CN-1060656-A Hexahydrotriazine compound and insecticide thereof AGRO KANESHO CO LTD (JP) 1992-04-29 CN disclosed
EP-0428941-A1 Hexahydrotriazine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-29 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-20010046994-A1 Hexahydrotriazine compounds and insecticides DDT, H1-5, HCRTR2 CHRNB2 172/4885CHRNA4 288/4885NAMPT 3978/4885

“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.