SCHEMBL12439704

SCHEMBL12439704

CC(O)(CN)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNN4 O15554 1/20 0.42
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CYP19A1 P11511 1/20 0.36
KIF11 P52732 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.34

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
Hydrochloric Acid SCHEMBL2320513 0.98 HTR2A (0.41) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL7414917 0.79 TAAR1 (0.50) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL15228185 0.77 KCNN4 (0.52) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL2320323 0.77 HSD11B1 (0.40) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL4298643 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL30530487 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL8895713 0.76 KCNN4 (0.45) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL5575372 0.74 KCNN4 (0.46) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL21632104 0.74 KCNN4 (0.42) HTR2AHTR2CADRA1AOPRK1KCNH2
SCHEMBL27641406 0.74 KCNN4 (0.43) HTR2AHTR2CADRA1AOPRK1KCNH2

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 3 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
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

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.