SCHEMBL2177340

SCHEMBL2177340

CCCC[Sn](C=Cc1nc(C(=O)OC)cc(N2CCCC2)n1)(CCCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MAPT P10636 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KMT2A Q03164 4/20 0.34
NAPEPLD Q6IQ20 4/20 0.33
TP53 P04637 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL2177333 1.00 KDM4E (0.36) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2187652 0.88 ALDH1A1 (0.38) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL12408670 0.80 KDM4E (0.36) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2178181 0.74 ALDH1A1 (0.45) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2178013 0.70 PDE10A (0.46) KDM4EMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL2178021 0.70 PDE10A (0.46) KDM4EMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL2178736 0.69 LMNA (0.40) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3412871 0.68 SMN1; SMN2 (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL12410060 0.68 ALDH1A1 (0.54) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL2712937 0.66 PIK3CA (0.41) KDM4EMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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 (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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B KDM4E 397/4885MAPT 4095/4885NPC1 4022/4885

“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.