SCHEMBL7941257

SCHEMBL7941257

O=C(O)c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
APEX1 P27695 1/20 0.48
CHEK2 O96017 1/20 0.47
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
GUSB P08236 2/20 0.45
TNKS O95271 1/20 0.45
NLRP3 Q96P20 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MMP13 P45452 1/20 0.45
FBP1 P09467 1/20 0.44
NPBWR1 P48145 1/20 0.44
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1895139 0.86 MEN1 (0.56) KMT2AKDM4EALDH1A1HPGDAPEX1
SCHEMBL11744177 0.84 CHEK2 (0.49) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL7943519 0.80 KDM4E (0.61) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL7941255 0.80 PKN1 (0.68) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL7945644 0.79 KDM4E (0.59) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL11745692 0.78 CHEK2 (0.60) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL900620 0.76 DGAT1 (0.56)
SCHEMBL900619 0.76 DGAT1 (0.56)
SCHEMBL6528644 0.75 KDM4E (0.56) KMT2AKDM4EALDH1A1HPGDCHEK2
SCHEMBL31049562 0.74 GUSB (0.53) KMT2AKDM4EALDH1A1HPGDAPEX1

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-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US claimed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 US claimed
US-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof LABORDE EDGARDO (US) 2001-09-27 US disclosed
US-6251689-B1 BINDING TO RESIN; OXIDATION TELIK, INC. 2001-06-26 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-20010024833-A1 Methods for the solid phase synthesis of combinatorial libraries of benzimidazol, benzoxazoles, benzothiazoles, and derivatives thereof EIF2AK2, CDK15, CDK17 KMT2A 3094/4885KDM4E 2008/4885ALDH1A1 3805/4885

“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.