SCHEMBL15764508

SCHEMBL15764508

NCCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.67
▸ MAOA P21397 1/20 0.56
▸ CTSB P07858 1/20 0.56
▸ CPB2 Q96IY4 1/20 0.54
▸ ADAMTS4 O75173 1/20 0.54
▸ ADAMTS5 Q9UNA0 1/20 0.54
▸ PADI6 Q6TGC4 1/20 0.52
▸ HPGDS O60760 1/20 0.51
▸ KLKB1 P03952 1/20 0.51
▸ PADI4 Q9UM07 1/20 0.51
▸ NPY1R P25929 3/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ KDM1B Q8NB78 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
Hydrochloric Acid SCHEMBL17133718 0.99 KDM1A (0.66) KDM1AMAOACTSBCPB2ADAMTS4
SCHEMBL17133640 0.90 KDM1A (0.68) KDM1AMAOAADAMTS4ADAMTS5PADI6
SCHEMBL15764513 0.90 KDM1A (0.68) KDM1AMAOAADAMTS4ADAMTS5PADI6
SCHEMBL15764509 0.89 KDM1A (0.69) KDM1AMAOACTSBPADI6HPGDS
Hydrochloric Acid SCHEMBL17133710 0.88 KDM1A (0.68) KDM1AMAOACTSBPADI6HPGDS
SCHEMBL17133692 0.86 GRIN1 (0.63) KDM1AMAOACTSBPADI6PADI4
SCHEMBL15764569 0.86 GRIN1 (0.63) KDM1AMAOACTSBPADI6PADI4
SCHEMBL15764518 0.83 KDM1A (0.60) KDM1AMAOAADAMTS4ADAMTS5PADI6
SCHEMBL23314815 0.82 HPGDS (0.54) KDM1ACTSBHPGDS
SCHEMBL15764511 0.82 KDM1A (0.63) KDM1AMAOAKDM1BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 — — US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 — — US disclosed
WO-2014084298-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE 京都府公立大学法人 (JP) 2014-06-05 — — 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-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KDM1A, DOT1L, KDM1B KDM1A 1/4885MAOA 247/4885CTSB 2460/4885

“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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