SCHEMBL7941255

SCHEMBL7941255

O=C(O)c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.68
PKN2 Q16513 1/20 0.68
PARP1 P09874 6/20 0.62
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
DHODH Q02127 7/20 0.53
ADORA3 P0DMS8 1/20 0.52
GAA P10253 2/20 0.49
MGAM O43451 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
CHEK2 O96017 1/20 0.47
GLA P06280 1/20 0.45

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
SCHEMBL27961282 0.86 PKN1 (0.79) PKN1PKN2PARP1ALDH1A1KMT2A
SCHEMBL31049579 0.85 PKN1 (0.73) PKN1PKN2PARP1DHODHADORA3
SCHEMBL11744167 0.84 PARP1 (0.51) PKN1PKN2PARP1KDM4EALDH1A1
SCHEMBL10172967 0.83 PKN1 (0.73) PKN1PKN2PARP1KDM4EALDH1A1
SCHEMBL7886398 0.83 PKN1 (0.73) PKN1PKN2PARP1KDM4EALDH1A1
SCHEMBL7943515 0.80 PARP1 (0.69) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL7941257 0.80 KMT2A (0.54) PKN1PKN2PARP1KDM4EALDH1A1
SCHEMBL7945641 0.79 MGAM (0.69) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL8601951 0.78 PKN1 (0.55) PKN1PKN2PARP1ALDH1A1KMT2A
SCHEMBL11745692 0.78 CHEK2 (0.60) KDM4EALDH1A1HPGDKMT2ACHEK2

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 PKN1 1838/4885PKN2 1069/4885PARP1 1891/4885

“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.