SCHEMBL4034977

SCHEMBL4034977

O=C1Cc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.52
GAA P10253 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
NPC1 O15118 1/20 0.50
P2RX1 P51575 1/20 0.50
TLK2 Q86UE8 1/20 0.49

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
SCHEMBL4034237 0.91 CASP3 (0.58) CASP3MEN1KMT2ARAB9AHTT
SCHEMBL6542776 0.81 SMYD3 (0.54) TLK2
SCHEMBL18302919 0.79 MEN1 (0.63) CASP3MEN1KMT2ARAB9AALDH1A1
SCHEMBL5842454 0.78 TLK2 (0.57) CASP3RAB9AHTTGAASMN1; SMN2
SCHEMBL24430219 0.76 MEN1 (0.57) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL11735609 0.75 RAB9A (0.58) CASP3MEN1KMT2ARAB9AHTT
SCHEMBL24430204 0.74 GRIN2D (0.46) CASP3MEN1KMT2ARAB9AMAPT
SCHEMBL13442870 0.74 CASP3 (1.00) CASP3MEN1KMT2ARAB9AHTT
SCHEMBL12857582 0.74 CASP3 (0.91) CASP3MEN1KMT2ARAB9AHTT
SCHEMBL4959975 0.73 MEN1 (0.61) CASP3MEN1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed
US-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-16 US disclosed
CN-1518546-A Selective anthranilamide picolinamides as VEGRF-2 and VEGFR-3 inhibitors ���ֹɷݹ�˾ 2004-08-04 CN disclosed
EP-1392680-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
US-20040039019-A1 Selected anthranilaminde pyridinamides and their use as pharmaceutical agents SCHERING AG (DE) 2004-02-26 US disclosed
WO-2002090352-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2002-11-14 WO 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 (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-20040039019-A1 Selected anthranilaminde pyridinamides and their use as pharmaceutical agents KDR, FLT1, FLT4 CASP3 896/4885MEN1 2641/4885KMT2A 3109/4885
US-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 FLT4, KDR, FLT1 CASP3 542/4885MEN1 3913/4885KMT2A 1262/4885

“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.