SCHEMBL527243

SCHEMBL527243

CC(C)(C)N(C(=O)O)[C@@H]1C[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 9/20 0.55
▸ MAOB P27338 8/20 0.48
▸ MAOA P21397 7/20 0.48
▸ S1PR5 Q9H228 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ KIF11 P52732 1/20 0.43
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ SLC13A5 Q86YT5 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38

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
SCHEMBL1667766 0.85 KDM1A (0.44) KDM1AMAOBMAOA
SCHEMBL15901607 0.84 KDM1A (0.44) KDM1AMAOBMAOAKIF11SLC6A7
SCHEMBL15939515 0.81 LMNA (0.56) MAOBMAOA
SCHEMBL15939514 0.81 LMNA (0.56) MAOBMAOA
SCHEMBL1029212 0.77 MAOA (0.46) KDM1AMAOBMAOAKCNH2
SCHEMBL1029213 0.77 MAOA (0.46) KDM1AMAOBMAOAKCNH2
SCHEMBL15939493 0.76 KDM1A (0.50) KDM1AMAOBMAOA
SCHEMBL15939494 0.76 KDM1A (0.50) KDM1AMAOBMAOA
SCHEMBL14841626 0.75 KDM1A (0.38) KDM1AMAOA
SCHEMBL1524298 0.75 KDM1A (0.38) KDM1AMAOA

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-8859555-B2 Lysine Specific Demethylase-1 inhibitors and their use ORYZON GENOMICS S.A. (ES) 2014-10-14 — — US disclosed
US-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2012-11-08 — — US disclosed
WO-2011035941-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-03-31 — — 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-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE JMJD6, KDM3A, KDM1A KDM1A 3/4885MAOB 186/4885MAOA 264/4885

“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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