SCHEMBL3198171

SCHEMBL3198171

CC1([N+](=O)[O-])C(c2ccccc2)CC(=O)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM1A O60341 4/20 0.42
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KCNA4 P22459 1/20 0.40
KCNA1 Q09470 1/20 0.40
KCNAB1 Q14722 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 5/20 0.38
DNMT3B Q9UBC3 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3195782 0.75 MAPT (0.44) CYP2C19KMT2AMEN1MAPTGAA
SCHEMBL3202978 0.75 MAPT (0.44) CYP2C19KMT2AMEN1MAPTGAA
SCHEMBL10071225 0.74 KDM1A (0.50) CYP2C19KMT2AMEN1KDM1AMAOA
SCHEMBL9764987 0.72 KDM1A (0.47) CYP2C19KMT2AKDM1AMAOAMAOB
SCHEMBL5078776 0.71 KDM1A (0.43) CYP2C19KMT2AKDM1AMAOAMAOB
SCHEMBL10507213 0.70 MAPT (0.50) CYP2C19KDM1AMAOAMAOBNFKB1
SCHEMBL10747925 0.67 KDM1A (0.50) CYP2C19KMT2AKDM1AMAOAMAOB
SCHEMBL14168934 0.67 MAPT (0.46) CYP2C19KMT2AMEN1NFKB1NFKB2
SCHEMBL8676674 0.67 KDM1A (0.42) CYP2C19KMT2AMEN1KDM1AMAOA
SCHEMBL11489353 0.65 KCNA4 (0.44) CYP2C19KMT2AMEN1KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
US-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) 2010-02-04 US claimed
EP-2054365-A2 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES Uniban - Universidade Bandeirante De São Paulo (BR) 2009-05-06 EP claimed
WO-2008003155-A2 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) 2008-01-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 CYP2C19 1703/4885KMT2A 1905/4885MEN1 2308/4885
US-20100029763-A1 METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES CASP3, CYP8B1, DERA CYP2C19 366/4885KMT2A 3228/4885MEN1 1364/4885

“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.