SCHEMBL8847802

SCHEMBL8847802

Nc1ccc(N(c2ccc(N)cc2)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CRHBP P24387 1/20 0.56
ATM Q13315 1/20 0.56
CRHR2 Q13324 1/20 0.56
TLR9 Q9NR96 1/20 0.56
MAPT P10636 6/20 0.50
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
KEAP1 Q14145 1/20 0.48

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
SCHEMBL8847808 1.00 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL19213967 0.93 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL15923 0.89 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL15922 0.89 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL19190713 0.89 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL8908011 0.89 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL27521130 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
Hydrochloric Acid SCHEMBL30872195 0.88 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL27517049 0.86 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL4905773 0.85 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AL3MBTL1CRHBP

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
US-9908844-B2 Epoxy resin oligomer with second order nonlinear optical properties, chromophores, and method of manufacturing the oligomer-containing crosslink layered epoxy/MMT composite material with second order nonlinear optical properties NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2018-03-06 US disclosed
US-9908844-B2 Epoxy resin oligomer with second order nonlinear optical properties, chromophores, and method of manufacturing the oligomer-containing crosslink layered epoxy/MMT composite material with second order nonlinear optical properties NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2018-03-06 US disclosed
US-20170226052-A1 EPOXY RESIN OLIGOMER WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES, CHROMOPHORES, AND METHOD OF MANUFACTURING THE OLIGOMER-CONTAINING CROSSLINK LAYERED EPOXY/MMT COMPOSITE MATERIAL WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2017-08-10 US disclosed
US-20170226052-A1 EPOXY RESIN OLIGOMER WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES, CHROMOPHORES, AND METHOD OF MANUFACTURING THE OLIGOMER-CONTAINING CROSSLINK LAYERED EPOXY/MMT COMPOSITE MATERIAL WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES NATIONAL CHUNG SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) 2017-08-10 US disclosed
US-5659010-A Nonlinear optical material, process of production of same, and nonlinear optical device and directional coupling type optical switch using same FUJITSU LIMITED (JP) 1997-08-19 US disclosed
US-5612449-A Nonlinear optical material, process of production of same, and nonlinear optical device and directional coupling type optical switch using same FUJITSU LIMITED (JP) 1997-03-18 US disclosed
US-5459232-A Nonlinear optical material, process of production of same, and nonlinear optical device and directional coupling type optical switch using same FUJITSU LIMITED (JP) 1995-10-17 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-20170226052-A1 EPOXY RESIN OLIGOMER WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES, CHROMOPHORES, AND METHOD OF MANUFACTURING THE OLIGOMER-CONTAINING CROSSLINK LAYERED EPOXY/MMT COMPOSITE MATERIAL WITH SECOND ORDER NONLINEAR OPTICAL PROPERTIES VIM, EPCAM, TET3 ALDH1A1 3561/4885MEN1 1038/4885KMT2A 1157/4885

“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.