SCHEMBL15435813

SCHEMBL15435813

COc1ccc(C(C)=O)cc1C#CCNC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL17775413 0.85 LMNA (0.41) L3MBTL1HDAC1SMN1; SMN2LMNARAB9A
SCHEMBL15417943 0.82 HDAC11 (0.45) KMT2AMEN1L3MBTL1HPGDKDM4E
SCHEMBL16478498 0.78 MAPT (0.50) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL15435814 0.78 CA1 (0.48) KMT2AMEN1L3MBTL1SMN1; SMN2CA1
SCHEMBL19125730 0.77 MAPT (0.45) HDAC1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL18822177 0.77 MAPT (0.47) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL18797914 0.76 SMN1; SMN2 (0.41) L3MBTL1HDAC1SMN1; SMN2LMNAALDH1A1
SCHEMBL17766854 0.76 ACHE (0.47) KMT2AMEN1L3MBTL1ACHEALDH1A1
SCHEMBL7418508 0.75 MAPT (0.48) KMT2AMEN1L3MBTL1SMN1; SMN2CA1
SCHEMBL17173256 0.74 ALDH1A1 (0.49) KMT2AMEN1L3MBTL1HPGDHDAC11

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-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 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-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 KMT2A 721/4885MEN1 892/4885L3MBTL1 3732/4885

“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.