SCHEMBL9003269

SCHEMBL9003269

O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.70
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GLA P06280 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.59
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HPGD P15428 2/20 0.58
ALOX12 P18054 1/20 0.58
KDM4E B2RXH2 2/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
PTPRF P10586 1/20 0.56
PTPN2 P17706 1/20 0.56

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
SCHEMBL5153567 0.94 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL4951837 0.91 ALDH1A1 (0.73) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL18549022 0.90 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL14117517 0.90 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL6851290 0.89 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL11194633 0.88 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL4817738 0.88 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL10489391 0.88 MAPT (0.72) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL5355772 0.88 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL1024700 0.88 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835587-A Synthesis method of diamine compound and diamine compound prepared by synthesis method 合肥中聚和成电子材料有限公司 2022-08-02 CN disclosed
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AR (US) 2019-08-22 US disclosed
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-28 US disclosed
US-10011704-B2 Rubber composition, tire, bisphenyldiamine compound, and anti-aging agent OTSUKA CHEMICAL CO., LTD. (JP) 2018-07-03 US disclosed
EP-3147319-B1 RUBBER COMPOSITION, TIRE, BISPHENYL DIAMINE COMPOUND AND ANTI-AGING AGENT OTSUKA CHEMICAL CO LTD (JP) 2018-06-13 EP disclosed
US-20170137604-A1 RUBBER COMPOSITION, TIRE, BISPHENYLDIAMINE COMPOUND, AND ANTI-AGING AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2017-05-18 US disclosed
EP-3147319-A1 RUBBER COMPOSITION, TIRE, BISPHENYL DIAMINE COMPOUND AND ANTI-AGING AGENT Otsuka Chemical Co., Ltd. (JP) 2017-03-29 EP disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
EP-0487019-B1 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1996-09-25 EP disclosed
EP-0384364-B1 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1994-01-19 EP disclosed
US-5154858-A Mixture of 2-(p-chlorophenyl)imidazoline and a compound having an electron donative and an electron attractive group MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0487019-A2 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-05-27 EP disclosed
US-5009815-A Composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-04-23 US disclosed
EP-0384364-A2 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-08-29 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 (5 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-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 MAPT 2064/4885ALDH1A1 4398/4885MEN1 2424/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885ALDH1A1 4398/4885MEN1 2424/4885
US-10011704-B2 Rubber composition, tire, bisphenyldiamine compound, and anti-aging agent RRS1, POT1, RAD54L MAPT 2363/4885ALDH1A1 2196/4885MEN1 2712/4885
US-20170137604-A1 RUBBER COMPOSITION, TIRE, BISPHENYLDIAMINE COMPOUND, AND ANTI-AGING AGENT RRS1, POT1, RAD54L MAPT 2363/4885ALDH1A1 2196/4885MEN1 2712/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 MAPT 2064/4885ALDH1A1 4398/4885MEN1 2424/4885

“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.