SCHEMBL80945

SCHEMBL80945

c1ccc2c(CCCOC3CCCCO3)csc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.39
CYP2A6 P11509 2/20 0.39
CHRNA7 P36544 1/20 0.39
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL93028 0.85 CYP2A6 (0.43) KDM4CKMT2AMTNR1AALDH1A1KDM4E
SCHEMBL9673310 0.79 KDM4C (0.53) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL48021 0.77 OPRM1 (0.41) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL80944 0.76 KDM4C (0.54) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL30416895 0.75 MEN1 (0.53) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL30516899 0.75 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL30516905 0.75 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL30516906 0.75 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1RAB9A
SCHEMBL2084894 0.75 KMT2A (0.47) KDM4CMEN1KMT2AALDH1A1KDM4E
SCHEMBL5097457 0.74 KDM4C (0.44) KDM4CMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C KDM4C 1969/4885MEN1 1026/4885KMT2A 525/4885

“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.