SCHEMBL4280959

SCHEMBL4280959

COC(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PTGER4 P35408 2/20 0.55
LMNA P02545 1/20 0.54
HCAR3 P49019 4/20 0.53
HPGD P15428 1/20 0.53
VCAM1 P19320 1/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL3762305 0.94 HPGD (0.58) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL4000202 0.93 HCAR3 (0.54) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL3759649 0.90 KMT2A (0.52) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL15774461 0.89 MAPT (0.71) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL8034115 0.89 HCAR3 (0.53) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL30537052 0.86 HCAR3 (0.69) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL29052815 0.86 HCAR3 (0.69) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL29052814 0.86 HCAR3 (0.69) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL27478644 0.85 HPGD (0.51) KMT2AMAPTALDH1A1PKMPTGER4
SCHEMBL1528454 0.84 HPGD (0.56) KMT2AMAPTALDH1A1PKMPTGER4

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
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 KMT2A 4021/4885MAPT 2052/4885ALDH1A1 2810/4885

“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.