SCHEMBL2457552

SCHEMBL2457552

c1csc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.45
HTR1B P28222 4/20 0.45
KCNH2 Q12809 1/20 0.45
ALK Q9UM73 1/20 0.43
QPCT Q16769 2/20 0.41
SLC6A11 P48066 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRA4 P48169 1/20 0.40
ERN1 O75460 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL2457857 0.87 QPCT (0.53) KCNH2QPCTQPCTL
SCHEMBL24359593 0.84 TUBB4A (0.38) HTR1DHTR1BKCNH2QPCTGABRA1
SCHEMBL2542450 0.79 IP6K1 (0.43) QPCTCYP3A4CYP2C9LTA4HCYP17A1
SCHEMBL2542932 0.79 QPCT (0.50) HTR1DHTR1BQPCTLTA4HCYP17A1
SCHEMBL6008269 0.78 MAPT (0.50) QPCTCYP3A4QPCTL
SCHEMBL31143361 0.78 MAPT (0.50) QPCTCYP3A4QPCTL
SCHEMBL23123126 0.77 QPCT (0.41) QPCTQPCTL
SCHEMBL1067745 0.76 HDAC1 (0.71) KCNH2
SCHEMBL8292303 0.76 HDAC2 (0.55) KCNH2
SCHEMBL29161441 0.76 ACVR1 (0.54) CHEK1

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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US disclosed
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 HTR1D 3744/4885HTR1B 3490/4885KCNH2 2582/4885
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET HTR1D 4455/4885HTR1B 3714/4885KCNH2 4873/4885

“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.