SCHEMBL1555082

SCHEMBL1555082

Nc1cccc(Oc2cc(F)c([N+](=O)[O-])c(Nc3ccc(I)cc3F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAP2K1 Q02750 18/20 0.41
CA2 P00918 5/20 0.39
CA1 P00915 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1554745 0.86 MAP2K1 (0.53) MAP2K1CA2CA1
SCHEMBL1680940 0.80 MAP2K1 (0.45) ALDH1A1MAP2K1MEN1MAPTKMT2A
SCHEMBL1495222 0.76 MAP2K1 (0.46) MAP2K1CA2
SCHEMBL1555015 0.72 MAP2K1 (0.50) MAP2K1CA2CA1
SCHEMBL13556478 0.71 MAP2K1 (0.55) MAP2K1CA2CA1
SCHEMBL1111202 0.70 MAP2K1 (0.81) MAP2K1CA2CA1
SCHEMBL12002495 0.70 MAP2K1 (0.60) MAP2K1CA2CA1
SCHEMBL12002496 0.70 MAP2K1 (0.60) MAP2K1CA2CA1
SCHEMBL1555556 0.70 MAP2K1 (0.52) MAP2K1CA2CA1
SCHEMBL1111366 0.69 MAP2K1 (0.53) MAP2K1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962606-B2 Substituted benzosulphonamides BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-24 US disclosed
US-20120269803-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-25 US disclosed
US-20120269804-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-25 US disclosed
EP-2491016-A1 SUBSTITUTED BENZOSULPHONAMIDES Bayer Pharma Aktiengesellschaft (DE) 2012-08-29 EP disclosed
EP-2491015-A1 SUBSTITUTED BENZOSULPHONAMIDES Bayer Pharma Aktiengesellschaft (DE) 2012-08-29 EP disclosed
WO-2011047788-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047795-A1 SUBSTITUTED BENZOSULPHONAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 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-20120269803-A1 SUBSTITUTED BENZOSULPHONAMIDES VEGFA, CCND2, F12 ALDH1A1 1312/4885MAP2K1 3488/4885CA2 3787/4885
US-20120269804-A1 SUBSTITUTED BENZOSULPHONAMIDES VEGFA, CCND2, F12 ALDH1A1 1312/4885MAP2K1 3488/4885CA2 3787/4885

“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.