SCHEMBL4894599

SCHEMBL4894599

Cc1cc(N)cnc1-c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.56
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
HDAC2 Q92769 2/20 0.44
KCNH2 Q12809 2/20 0.44
PDK1 Q15118 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4890641 0.91 HDAC1 (0.67) HDAC1HDAC2KCNH2
SCHEMBL14182615 0.86 HDAC1 (0.50) HDAC1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4897498 0.85 HDAC1 (0.51) HDAC1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4897229 0.84 HDAC1 (0.52) HDAC1POLBHPGDKCNH2TRPV1
SCHEMBL4897402 0.84 HDAC1 (0.59) HDAC1MAPTPOLBHPGDKCNH2
SCHEMBL4893491 0.83 KMT2A (0.58) HDAC1MAPTPOLBHPGDHDAC2
SCHEMBL4893482 0.83 KMT2A (0.58) HDAC1MAPTPOLBHPGDHDAC2
SCHEMBL4887589 0.79 HDAC1 (0.47) HDAC1POLBHDAC2TRPV1NPC1
SCHEMBL4890450 0.77 HDAC1 (0.54) HDAC1KCNH2
SCHEMBL1705539 0.76 HDAC1 (0.61) HDAC1CYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 HDAC1 1/4885CYP1A2 1752/4885MAPT 3927/4885

“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.