SCHEMBL701128

SCHEMBL701128

O=C(O)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.43
CCR1 P32246 1/20 0.41
GAA P10253 1/20 0.41
CHRNA7 P36544 2/20 0.41
CCR5 P51681 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL698464 0.93 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL4294627 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL708425 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL3441805 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL3441783 0.86 TACR1 (0.44) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL700251 0.84 CCR5 (0.57) LMNACCR5
SCHEMBL701189 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL10246542 0.81 CHRNB2 (0.42) ALDH1A1CCR1CHRNA7HRH3CHRNB2
SCHEMBL709333 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAEPHX2
SCHEMBL3441634 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNAEPHX2

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 MEN1 3536/4885KMT2A 3631/4885ALDH1A1 958/4885

“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.