SCHEMBL469528

SCHEMBL469528

N/C(CC(=O)Nc1ccc(F)c(F)c1)=N\O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.58
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL10138054 0.81 KDM1A (0.69) KDM1AALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL8481692 0.80 TSHR (0.59) ALDH1A1CYP1A2CYP3A4TSHRHPGD
SCHEMBL469530 0.79 KMT2A (0.73) KDM1AALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL17509892 0.78 TSHR (0.62) ALDH1A1CYP1A2TSHRHPGDSMN1; SMN2
SCHEMBL6679711 0.78 TSHR (0.61) ALDH1A1CYP1A2CYP3A4TSHRHPGD
SCHEMBL4795850 0.77 ALDH1A1 (0.61) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL469608 0.76 KDM1A (0.55) KDM1AALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL242212 0.76 TSHR (0.59) ALDH1A1CYP1A2CYP3A4TSHRHPGD
SCHEMBL29678256 0.76 TSHR (0.59) ALDH1A1CYP1A2CYP3A4TSHRHPGD
SCHEMBL10472154 0.76 TSHR (0.73) ALDH1A1CYP1A2CYP3A4TSHRHPGD

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-9527805-B2 Small molecules as epigenetic modulators of lysine-specific demethylase 1 and methods of treating disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-27 US disclosed
US-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-01-09 US disclosed
WO-2012034116-A2 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-15 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-20140011857-A1 SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS KDM1B, DOT1L, EHMT1 KDM1A 6/4885ALDH1A1 1115/4885CYP1A2 3999/4885

“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.