SCHEMBL15764509

SCHEMBL15764509

NCCCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.69
▸ MAOA P21397 1/20 0.56
▸ PADI6 Q6TGC4 1/20 0.56
▸ C3AR1 Q16581 1/20 0.54
▸ HPGDS O60760 1/20 0.53
▸ CTSB P07858 3/20 0.53
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ CTSV O60911 2/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CTSK P43235 2/20 0.52
▸ PADI4 Q9UM07 2/20 0.51
▸ KDM1B Q8NB78 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 SCHEMBL17133710 0.99 KDM1A (0.68) KDM1AMAOAPADI6C3AR1HPGDS
SCHEMBL17537334 0.91 KDM1A (0.70) KDM1AMAOAPADI6C3AR1CTSB
SCHEMBL17133716 0.91 KDM1A (0.70) KDM1AMAOAPADI6C3AR1CTSB
SCHEMBL15764508 0.89 KDM1A (0.67) KDM1AMAOAPADI6HPGDSCTSB
Hydrochloric Acid SCHEMBL17133718 0.88 KDM1A (0.66) KDM1AMAOAPADI6HPGDSCTSB
SCHEMBL15764510 0.84 KDM1A (0.62) KDM1AMAOAPADI6C3AR1CTSB
SCHEMBL15764569 0.84 GRIN1 (0.63) KDM1AMAOAPADI6CTSBGRIN1
SCHEMBL17133692 0.84 GRIN1 (0.63) KDM1AMAOAPADI6CTSBGRIN1
SCHEMBL17537310 0.84 KDM1A (0.64) KDM1AMAOAPADI6CTSBCTSV
SCHEMBL17133721 0.84 KDM1A (0.64) KDM1AMAOAPADI6CTSBCTSV

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 247/4885PADI6 155/4885

“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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