SCHEMBL29991968

SCHEMBL29991968

Fc1cc2c(cc1Cl)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 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
SCHEMBL30888613 0.95 HTR2A (0.42) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL5750905 0.81 GRIN2D (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1GRIN2D
SCHEMBL5751880 0.81 SIGMAR1 (0.43) HTR2AHTR2CHTR2BNPC1RAB9A
SCHEMBL13672966 0.79 HTR2C (0.59) HTR2AHTR2CHTR2B
SCHEMBL1908242 0.78 HTR2A (0.47) HTR2AHTR2CHTR2BSLC6A4SIGMAR1
SCHEMBL30888604 0.78 MAOA (0.49) HTR2AHTR2CHTR2BCYP11B1CYP11B2
Ethane SCHEMBL27451716 0.76 GRIN2D (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1PTGS2
SCHEMBL30315317 0.75 SIGMAR1 (0.43) HTR2AHTR2CHTR2BSMN1; SMN2KDM1A
SCHEMBL5722761 0.75 CDC25B (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1GRIN2D
SCHEMBL30236891 0.74 CYP2A6 (0.41) HTR2AHTR2CHTR2BKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 HTR2A 2280/4885HTR2C 3812/4885HTR2B 3319/4885

“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.