SCHEMBL7529908

SCHEMBL7529908

CCc1ccc(-n2c(-c3ccccc3)nc3ccc(OCCCCCC(=O)NC(C)C)cc32)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 4/20 0.43
TOP1 P11387 1/20 0.43
AVPR1B P47901 4/20 0.40
EGFR P00533 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
BRD4 O60885 3/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 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
SCHEMBL2324340 0.91 SMN1; SMN2 (0.47) SMN1; SMN2HDAC1TOP1AVPR1BEGFR
SCHEMBL2330628 0.90 HDAC1 (0.44) SMN1; SMN2HDAC1TOP1AVPR1BEGFR
SCHEMBL2361332 0.85 HDAC1 (0.43) SMN1; SMN2HDAC1TOP1AVPR1BEGFR
SCHEMBL4589067 0.82 ALDH1A1 (0.44) SMN1; SMN2HDAC1TOP1EGFRMAPT
SCHEMBL2324500 0.80 HDAC1 (0.46) HDAC1TOP1AVPR1BEGFRHDAC3
SCHEMBL2331959 0.80 HDAC1 (0.43) HDAC1TOP1AVPR1BEGFRHDAC3
SCHEMBL6481753 0.80 VDR (0.47) SMN1; SMN2HDAC1TOP1AVPR1BHDAC8
SCHEMBL2326876 0.80 HDAC1 (0.59) HDAC1TOP1HDAC3HDAC4HDAC7
SCHEMBL2324135 0.79 HDAC1 (0.48) HDAC1TOP1AVPR1BHDAC3HDAC4
SCHEMBL2327764 0.79 HPGD (0.53) SMN1; SMN2HDAC1TOP1AVPR1BEGFR

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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US claimed

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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 SMN1; SMN2 933/4885HDAC1 331/4885TOP1 2199/4885

“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.