SCHEMBL528042

SCHEMBL528042

O=C(O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
KMO O15229 2/20 0.50
KDM1A O60341 2/20 0.50
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
CTSK P43235 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41

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
SCHEMBL528043 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EKMOKDM1ARXRA
SCHEMBL3751766 0.82 KDM1A (0.56) ALDH1A1KDM4EKMOKDM1AMEN1
SCHEMBL529680 0.81 GAA (0.41) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28777910 0.79 KMO (0.59) ALDH1A1KDM4EKMOKDM1AMEN1
SCHEMBL527528 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EKMOKDM1ARXRA
SCHEMBL527527 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EKMOKDM1ARXRA
SCHEMBL3778055 0.74 MIF (0.41) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL3783377 0.74 MIF (0.41) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL529514 0.72 KDM1A (0.69) ALDH1A1KDM4EKMOKDM1ARXRA
SCHEMBL527392 0.72 KDM1A (0.69) ALDH1A1KDM4EKMOKDM1ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed
US-9676701-B2 Cyclopropylamine derivatives useful as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2017-06-13 US disclosed
US-20160052865-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. 2016-02-25 US disclosed
US-9006449-B2 Cyclopropylamine derivatives useful as LSD1 inhibitors ORYZON GENOMICS, S.A. (ES) 2015-04-14 US disclosed
US-20130197013-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2013-08-01 US disclosed
EP-2598480-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 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 (2 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-20160052865-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3A ALDH1A1 661/4885KDM4E 14/4885KMO 183/4885
US-20130197013-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS KDM1B, KDM1A, KDM3A ALDH1A1 661/4885KDM4E 14/4885KMO 183/4885

“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.