SCHEMBL4201118

SCHEMBL4201118

O=[N+]([O-])c1cnn2c1NCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 9/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31

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
SCHEMBL2523197 0.90 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MAPTHTT
SCHEMBL24439665 0.81 SMN1; SMN2 (0.35) CYP1A2CYP2C9CYP2C19MAPTHTT
SCHEMBL24439546 0.77 SMN1; SMN2 (0.35) CYP1A2CYP2C9CYP2C19MAPTHTT
SCHEMBL30320387 0.73 CYP11B2 (0.36) LMNA
SCHEMBL25274344 0.71 CCNT1 (0.32)
SCHEMBL24439448 0.71 SMN1; SMN2 (0.37) CYP1A2CYP2C19MAPTHTTALDH1A1
SCHEMBL8795481 0.71 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL17869465 0.70 CHRNB2 (0.31)
SCHEMBL27199355 0.70 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19MAPTHTT
SCHEMBL9869341 0.69 POLB (0.38) ALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562061-B1 HAIR-DYEING AGENT CONTAINING AMINOPYRAZOLE DERIVATIVES, AND NEW PYRAZOLE DERIVATIVES WELLA AG (DE) 1997-01-22 EP claimed
US-5380340-A Hair dye containing aminopyrazole derivatives as well as pyrazole derivatives WELLA AKTIENGESELLSCHAFT (DE) 1995-01-10 US claimed
US-20250143992-A1 VAT PLUS OXIDATIVE COLORS WELLA GERMANY GMBH (DE) 2025-05-08 US disclosed
EP-4475959-A1 HAIR COLORING USING OXIDATIVE DYE PRECURSORS COMPRISING PYRAZOLE PRIMARIES AND COUPLERS, IN COMBINATION WITH SOLUBILIZED VAT DYES, FOR IMPROVING COLOR WASH FASTNESS Wella Germany GmbH (DE) 2024-12-18 EP disclosed
WO-2023152322-A1 HAIR COLORING USING OXIDATIVE DYE PRECURSORS COMPRISING PYRAZOLE PRIMARIES AND COUPLERS, IN COMBINATION WITH SOLUBILIZED VAT DYES, FOR IMPROVING COLOR WASH FASTNESS WELLA GERMANY GMBH (DE) 2023-08-17 WO disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
EP-0562061-B1 HAIR-DYEING AGENT CONTAINING AMINOPYRAZOLE DERIVATIVES, AND NEW PYRAZOLE DERIVATIVES WELLA AG (DE) 1997-01-22 EP disclosed
US-5380340-A Hair dye containing aminopyrazole derivatives as well as pyrazole derivatives WELLA AKTIENGESELLSCHAFT (DE) 1995-01-10 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 (4 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 CYP1A2 315/4885CYP2C9 92/4885CYP2C19 103/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CYP1A2 443/4885CYP2C9 116/4885CYP2C19 189/4885
US-20250143992-A1 VAT PLUS OXIDATIVE COLORS VAT1, POR, GSR CYP1A2 152/4885CYP2C9 169/4885CYP2C19 408/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 CYP1A2 1846/4885CYP2C9 573/4885CYP2C19 623/4885

“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.