SCHEMBL2974997

SCHEMBL2974997

O=C(O)c1ccc2[nH]c(CBr)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
SIRT1 Q96EB6 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
F2 P00734 3/20 0.44
APEX1 P27695 3/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ENPP2 Q13822 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
SMAD3 P84022 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL20570792 0.85 HRH3 (0.52) HRH3SIRT1SIRT2F2APEX1
SCHEMBL30457877 0.85 HRH3 (0.52) HRH3SIRT1SIRT2F2APEX1
SCHEMBL6240732 0.83 KDM4E (0.51) HRH3SIRT1SIRT2F2APEX1
SCHEMBL6256459 0.83 HRH3 (0.58) HRH3SIRT1SIRT2F2APEX1
SCHEMBL1664310 0.82 HRH3 (0.50) HRH3SIRT1SIRT2F2APEX1
SCHEMBL6253984 0.81 HRH3 (0.56) HRH3SIRT1SIRT2F2APEX1
SCHEMBL977626 0.80 F2 (0.70) HRH3SIRT1SIRT2F2KDM4E
SCHEMBL26926590 0.80 HRH3 (0.55) HRH3SIRT1SIRT2F2KDM4E
SCHEMBL17514252 0.80 HRH3 (0.48) HRH3SIRT1SIRT2F2APEX1
SCHEMBL8181089 0.80 HRH3 (0.48) HRH3SIRT1SIRT2F2APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS BLEICHER KONRAD 2008-09-25 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-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS CNR1, CNR2, GPR119 HRH3 206/4885SIRT1 538/4885SIRT2 834/4885

“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.