SCHEMBL16100125

SCHEMBL16100125

COC(=O)c1cc2n(n1)CCN(C(=O)CCc1cccc(OC)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42

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
SCHEMBL21753816 0.76 SIGMAR1 (0.53) SIGMAR1ALDH1A1GRM5MEN1KMT2A
SCHEMBL2526693 0.75 HDAC6 (0.55) HDAC6ALDH1A1GRM5MEN1KMT2A
SCHEMBL8326447 0.75 SIGMAR1 (0.66) SIGMAR1ALDH1A1KDM4ECASP3CASP7
SCHEMBL22813680 0.75 SIGMAR1 (0.62) SIGMAR1ALDH1A1KDM4ESMN1; SMN2PARP1
SCHEMBL14218060 0.73 SIGMAR1 (0.67) SIGMAR1ALDH1A1KDM4EPARP1MEN1
SCHEMBL16099875 0.73 KDM4E (0.49) SIGMAR1ALDH1A1KDM4EPARP1CASP3
SCHEMBL13624853 0.72 SIGMAR1 (0.61) SIGMAR1ALDH1A1KDM4EPARP1CASP3
SCHEMBL8324239 0.72 FKBP1A (0.72) SIGMAR1ALDH1A1KDM4ESMN1; SMN2CASP3
SCHEMBL20988914 0.71 PKM (0.53) PKMSIGMAR1ALDH1A1KDM4EMC4R
SCHEMBL4378642 0.71 L3MBTL1 (0.57) SIGMAR1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 PKM 3852/4885HDAC6 1150/4885SIGMAR1 542/4885

“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.

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