SCHEMBL4151885

SCHEMBL4151885

O=C(Cn1c(=O)oc2ccccc21)NC(=O)[C@H](CCCSCC(=O)C(F)(F)F)NCc1csc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
ACKR3 P25106 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
CDYL2 Q8N8U2 2/20 0.34
CDYL Q9Y232 2/20 0.34
CDY1; CDY1B Q9Y6F8 2/20 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
SCHEMBL4166894 0.83 KDM4E (0.43) KMT2AALDH1A1MAPTTP53HPGD
Trifluoroacetic Acid SCHEMBL4154033 0.82 CYP1A2 (0.39) KMT2APOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4160443 0.82 KDM4E (0.39) ALDH1A1ACKR3HPGDHTTLMNA
SCHEMBL4169059 0.81 KDM4E (0.39) ALDH1A1MAPTSMN1; SMN2ACKR3HPGD
SCHEMBL4163442 0.80 ACKR3 (0.44) ALDH1A1ACKR3HPGDHTTLMNA
SCHEMBL4160768 0.80 HPGD (0.40) ALDH1A1ACKR3HPGDHTTLMNA
Trifluoroacetic Acid SCHEMBL4168647 0.78 LMNA (0.35) KMT2APOLBALDH1A1CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL4171443 0.78 CHRM1 (0.38) KMT2APOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4620748 0.73 LMNA (0.40) KMT2APOLBALDH1A1CYP1A2CYP2C19
SCHEMBL4621007 0.73 POLB (0.51) KMT2APOLBALDH1A1CYP1A2CYP2C19

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 KMT2A 20/4885POLB 1368/4885ALDH1A1 320/4885

“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.