SCHEMBL5020176

SCHEMBL5020176

CC(C)C(=O)c1ccc2c(-c3cccs3)c(C(=O)C(F)(F)F)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PPARG P37231 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
HDAC3 O15379 1/20 0.35
PRNP P04156 1/20 0.35
PSMB5 P28074 1/20 0.35
ALDH1A1 P00352 2/20 0.34
APOBEC3A P31941 1/20 0.34

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
SCHEMBL8745762 0.82 KDM4E (0.39) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14747559 0.80 SMPD3 (0.38) RXFP1MEN1KMT2AHTTMAPT
SCHEMBL4561224 0.79 KDM4E (0.38) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL8778506 0.77 PLA2G2D (0.32) HTTSMN1; SMN2ALDH1A1
SCHEMBL5020167 0.77 PLA2G2D (0.32) HTT
SCHEMBL5020166 0.74 CYP17A1 (0.33) RXFP1MEN1KMT2AHTTMAPT
SCHEMBL8745732 0.65 NOTUM (0.36) LMNASMN1; SMN2
SCHEMBL15001254 0.61 RAB9A (0.68) MEN1KMT2AHTTMAPTLMNA
SCHEMBL8745767 0.61 ALDH1A1 (0.35) RXFP1MEN1KMT2AHTTMAPT
SCHEMBL14747560 0.60 PTPN1 (0.36) MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO RXFP1 4433/4885MEN1 511/4885KMT2A 1886/4885

“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.