SCHEMBL93028

SCHEMBL93028

c1ccc2c(COC3CCCCO3)csc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
CHRNA7 P36544 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
MTNR1A P48039 1/20 0.40
SLC6A4 P31645 2/20 0.37
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 2/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36

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
SCHEMBL80945 0.85 KDM4C (0.46) CYP2A6KDM4CCHRNA7SMN1; SMN2CRHBP
SCHEMBL80199 0.77 KDM4C (0.38) KDM4CCHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL5107704 0.76 KDM4C (0.43) KDM4CEP300CREBBPKMT2AL3MBTL1
SCHEMBL30148871 0.75 KDM4C (0.43) KDM4CSLC6A4DRD2EP300CREBBP
SCHEMBL14476044 0.75 KDM4C (0.43) KDM4CKDM4EEP300CREBBPKMT2A
SCHEMBL15635161 0.75 KDM4C (0.43) KDM4CKDM4EEP300CREBBPKMT2A
SCHEMBL18355699 0.75 TACR1 (0.46) KDM4CEP300CREBBPKMT2APKM
SCHEMBL23662493 0.74 KDM4C (0.41) KDM4CSLC6A4EP300CREBBPKMT2A
SCHEMBL29866511 0.74 KDM4C (0.41) KDM4CSLC6A4EP300CREBBPKMT2A
SCHEMBL2006340 0.73 TACR1 (0.45) KDM4CEP300CREBBPKMT2AALDH1A1

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-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

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 CYP2A6 211/4885KDM4C 1969/4885CHRNA7 786/4885

“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.