SCHEMBL2327962

SCHEMBL2327962

CC(O)(C#N)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
KCNN4 O15554 1/20 0.38
TRPA1 O75762 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 4/20 0.34
HSD11B1 P28845 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
PDK1 Q15118 3/20 0.33
PDK2 Q15119 3/20 0.33

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
SCHEMBL28390802 0.83 HTR2A (0.41) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL1605524 0.79 KCNN4 (0.41) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL30045727 0.78 ALDH1A1 (0.56) TRPA1TSHRLMNAALDH1A1TDP1
SCHEMBL30530487 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL4298643 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL8895713 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL27641406 0.74 KCNN4 (0.43) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL9555953 0.73 KCNN4 (0.36) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL11883888 0.73 HTR2A (0.37) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL27817923 0.73 ALDH1A1 (0.38) HTR2ATSHRALDH1A1TDP1AR

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-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2012-11-29 US disclosed
WO-2011097337-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF ADVANCED NEURAL DYNAMICS, INC. (US) 2011-08-11 WO disclosed
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 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 (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-20120302546-A1 NOVEL SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND METHODS FOR USE THEREOF GRIK2, GRIK5, GRIN2A HTR2A 642/4885HTR2C 1406/4885ADRA1A 2910/4885

“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.