SCHEMBL13485751

SCHEMBL13485751

O=C(NO)C1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.59
ADRB1 P08588 1/20 0.54
RBP4 P02753 1/20 0.54
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 2/20 0.50
SLC6A7 Q99884 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 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
SCHEMBL895533 0.86 KDM4E (0.60) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL971605 0.85 ADRB1 (0.57) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL12845123 0.84 CHRM4 (0.56) CHRM4RBP4KDM4EHSD17B10MEN1
SCHEMBL1912281 0.81 KDM4E (0.54) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL24977394 0.81 CHRM4 (0.53) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL2328007 0.80 ADRB1 (0.54) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL5463427 0.80 ADRB1 (0.64) CHRM4ADRB1RBP4KDM4EKMT2A
SCHEMBL12845083 0.80 KDM4E (0.54) CHRM4RBP4KDM4EHSD17B10MEN1
SCHEMBL19658658 0.79 ACACB (0.54) CHRM4ADRB1RBP4KDM4EHSD17B10
SCHEMBL12779470 0.79 KDM4E (0.61) CHRM4RBP4KDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA CHRM4 3521/4885ADRB1 4458/4885RBP4 4674/4885

“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.