SCHEMBL5881972

SCHEMBL5881972

Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2c1Cc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MCL1 Q07820 2/20 0.39
CXCR2 P25025 2/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN1 P18031 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL5882123 0.95 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5884525 0.91 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6320284 0.87 MAPT (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6321446 0.86 MAPT (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5881952 0.85 PTPN5 (0.53) MAPTTP53PTPN5MMP3MMP7
SCHEMBL5882270 0.84 PPARG (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5882307 0.82 GPR84 (0.50) MAPTPTPN5POLB
SCHEMBL6326612 0.82 MAPT (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5882177 0.82 FLT1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5881622 0.80 MAPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP 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-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT HDAC3 1384/4885HDAC4 1743/4885HDAC1 1156/4885

“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.