SCHEMBL4627552

SCHEMBL4627552

N=C(NCc1ccccc1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MITF O75030 1/20 0.54
KMT2A Q03164 6/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ADAMTS4 O75173 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 5/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
SCN2A Q99250 1/20 0.49

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
SCHEMBL4628362 0.85 POLB (0.70) TP53ALDH1A1MITFKMT2AHDAC2
SCHEMBL4628724 0.85 EPHX2 (0.60) TP53ALDH1A1MITFHDAC8HDAC6
SCHEMBL5226231 0.84 HDAC6 (0.72) ALDH1A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL4628683 0.82 SCN5A (0.58) ALDH1A1HDAC8ADAMTS5RAB9ANPC1
SCHEMBL4628790 0.82 NPC1 (0.72) TP53ALDH1A1KMT2ARAB9ANPC1
SCHEMBL4628986 0.81 LMNA (0.63) ALDH1A1KMT2ANPC1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL9196856 0.80 MEN1 (0.47) TP53ALDH1A1KMT2ARAB9ANPC1
SCHEMBL21678103 0.79 PLAAT3 (0.58) ALDH1A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL4628512 0.78 HDAC2 (0.55) ALDH1A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL3461078 0.78 HDAC6 (0.70) ALDH1A1KMT2AHDAC2HDAC8HDAC6

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
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA TP53 4226/4885ALDH1A1 858/4885MITF 3114/4885

“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.