SCHEMBL6714636

SCHEMBL6714636

Fc1cc(F)cc(Cn2cc[nH]c2=S)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DBH P09172 17/20 1.00
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL10621834 0.81 DBH (1.00) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10621922 0.78 DBH (1.00) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10624621 0.71 DBH (1.00) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL3179236 0.71 DBH (0.55) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL9371273 0.69 DBH (0.60) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL11565383 0.66
Hydrochloric Acid SCHEMBL10532035 0.65 DBH (0.47) DBHALDH1A1
SCHEMBL9369333 0.62 DBH (0.56) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL9375216 0.62 DBH (0.56) DBHALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10448529 0.62 DBH (0.47) DBHALDH1A1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054403-A1 Treatment of Post-Traumatic Stress Disorder SYNOSIA THERAPEUTICS (US) 2009-02-26 US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO 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 (2 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH DBH 4/4885ALDH1A1 100/4885CYP1A2 1710/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH DBH 2/4885ALDH1A1 114/4885CYP1A2 2289/4885

“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.