SCHEMBL6494249

SCHEMBL6494249

CCc1[nH]c(CBr)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.43
RNASEH1 O60930 3/20 0.33
LMNA P02545 1/20 0.32
PIN1 Q13526 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23930862 0.76 PIN1 (0.44) RNASEH1PIN1
SCHEMBL6469854 0.73 HCAR2 (0.44) HCAR2LMNAPIN1HSD17B10
SCHEMBL13056608 0.70 CDC7 (0.36) HCAR2HSD17B10
SCHEMBL7146649 0.68 PIN1 (0.47) HCAR2RNASEH1PIN1
SCHEMBL2804373 0.68 PIN1 (0.44) HCAR2RNASEH1LMNAPIN1
SCHEMBL19366154 0.66 PIN1 (0.49) HCAR2RNASEH1PIN1
SCHEMBL2821035 0.66 PIN1 (0.49) HCAR2RNASEH1PIN1
SCHEMBL29917975 0.64 ALDH1A1 (0.38) HCAR2RNASEH1PIN1
SCHEMBL30503047 0.64 RNASEH1 (0.60) RNASEH1
SCHEMBL7416029 0.64 CYP1A2 (0.30) PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841682-B2 Heterocycles useful in the treatment of benign prostatic hyperplasia JANSEEN PHARMACEUTICA N.V. (BE) 2005-01-11 US disclosed
EP-1273572-B1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
EP-1025085-B1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO MCNEIL PHARM INC (US) 2003-03-26 EP disclosed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP disclosed
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia HUTCHINGS RICHARD H (US) 2002-11-07 US disclosed
US-6384035-B1 TREATING A DISEASE MEDIATED BY THE .ALPHA.-1.SUB.A ADRENERGIC RECEPTOR COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-07 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-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D HCAR2 97/4885RNASEH1 2517/4885LMNA 2616/4885

“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.