SCHEMBL4887589

SCHEMBL4887589

Cc1cc(NC(=O)CCBr)cnc1-c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NTRK1 P04629 1/20 0.39
LDLR P01130 1/20 0.39

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
SCHEMBL14182614 0.88 HDAC1 (0.43) HDAC1DHODHTRPV1SMN1; SMN2
SCHEMBL8263365 0.86 HDAC1 (0.42) HDAC1DHODHTRPV1SMN1; SMN2
SCHEMBL4897229 0.79 HDAC1 (0.52) HDAC1DHODHNPC1RAB9ATRPV1
SCHEMBL4897402 0.79 HDAC1 (0.59) HDAC1NPC1RAB9ATRPV1POLB
SCHEMBL4894599 0.79 HDAC1 (0.56) HDAC1NPC1RAB9ATRPV1POLB
SCHEMBL5821765 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2
SCHEMBL4897276 0.76 HDAC1 (0.68) HDAC1
SCHEMBL4893482 0.76 KMT2A (0.58) HDAC1NPC1LMNAPOLBSMN1; SMN2
SCHEMBL4893491 0.76 KMT2A (0.58) HDAC1NPC1LMNAPOLBSMN1; SMN2
SCHEMBL18573121 0.74 DHODH (0.55) DHODHNPC1RAB9ATRPV1LMNA

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 1/4885DHODH 3390/4885NPC1 2826/4885

“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.