SCHEMBL17133692

SCHEMBL17133692

NCCCCC(NC(=O)c1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.63
▸ GRIN2A Q12879 2/20 0.63
▸ KDM1A O60341 10/20 0.62
▸ KDM1B Q8NB78 2/20 0.62
▸ MAOA P21397 1/20 0.56
▸ PADI6 Q6TGC4 1/20 0.56
▸ PADI4 Q9UM07 2/20 0.55
▸ TLR2 O60603 1/20 0.55
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CTSB P07858 1/20 0.53

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
SCHEMBL15764569 1.00 GRIN1 (0.63) GRIN1GRIN2AKDM1AKDM1BMAOA
SCHEMBL16155821 0.88 KDM1A (0.63) GRIN1GRIN2AKDM1AKDM1BMAOA
SCHEMBL15764565 0.88 KDM1A (0.63) GRIN1GRIN2AKDM1AKDM1BMAOA
SCHEMBL16288707 0.88 TLR2 (0.58) GRIN1GRIN2AKDM1AKDM1BTLR2
SCHEMBL17531099 0.87 KDM1A (0.62) GRIN1GRIN2AKDM1AKDM1BMAOA
SCHEMBL15764508 0.86 KDM1A (0.67) GRIN1GRIN2AKDM1AKDM1BMAOA
Hydrochloric Acid SCHEMBL17133718 0.85 KDM1A (0.66) GRIN1GRIN2AKDM1AKDM1BMAOA
SCHEMBL7411072 0.84 CTSB (0.57) GRIN1GRIN2ACTSB
SCHEMBL27544597 0.84 CTSB (0.57) GRIN1GRIN2ACTSB
SCHEMBL15764509 0.84 KDM1A (0.69) GRIN1GRIN2AKDM1AKDM1BMAOA

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 GRIN1 319/4885GRIN2A 686/4885KDM1A 1/4885

“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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