SCHEMBL17133716

SCHEMBL17133716

O=C(NC(CCCCO)C(=O)NCc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.70
▸ MAOA P21397 1/20 0.57
▸ PADI6 Q6TGC4 1/20 0.55
▸ CTSL P07711 4/20 0.53
▸ CTSB P07858 4/20 0.53
▸ CTSS P25774 4/20 0.53
▸ CTSK P43235 4/20 0.53
▸ CTSV O60911 3/20 0.53
▸ C3AR1 Q16581 1/20 0.52
▸ KDM1B Q8NB78 1/20 0.50
▸ PADI4 Q9UM07 2/20 0.49
▸ NPY1R P25929 1/20 0.48

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
SCHEMBL17537334 1.00 KDM1A (0.70) KDM1AMAOAPADI6CTSLCTSB
SCHEMBL15764509 0.91 KDM1A (0.69) KDM1AMAOAPADI6CTSLCTSB
Hydrochloric Acid SCHEMBL17133710 0.90 KDM1A (0.68) KDM1AMAOAPADI6CTSLCTSB
SCHEMBL17133640 0.89 KDM1A (0.68) KDM1AMAOAPADI6KDM1BPADI4
SCHEMBL15764513 0.89 KDM1A (0.68) KDM1AMAOAPADI6KDM1BPADI4
SCHEMBL15764514 0.88 KDM1A (0.56) KDM1AMAOAPADI6CTSBCTSS
SCHEMBL15764510 0.85 KDM1A (0.62) KDM1AMAOAPADI6CTSLCTSB
SCHEMBL17133721 0.84 KDM1A (0.64) KDM1AMAOAPADI6CTSLCTSB
SCHEMBL17537310 0.84 KDM1A (0.64) KDM1AMAOAPADI6CTSLCTSB
SCHEMBL16155821 0.83 KDM1A (0.63) KDM1AMAOAPADI6CTSLCTSS

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
EP-2927212-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE Kyoto University (JP) 2015-10-07 — — EP 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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