SCHEMBL24025971

SCHEMBL24025971

CCCCCc1n[nH]c2ccc(SC)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1E P28566 2/20 0.38
HTR1F P30939 2/20 0.38
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 0.38
HTR3A P46098 2/20 0.38
HTR5A P47898 2/20 0.38
HTR6 P50406 2/20 0.38
HTR4 Q13639 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15826217 0.81 HTR1A (0.48) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL7134511 0.79 CYP3A4 (0.44) HTR1AHTR1DHTR2AHTR2CHTR2B
SCHEMBL22632566 0.79 PDPK1 (0.50) HTR1AHTR2AHTR2CHTR7HTR2B
SCHEMBL22643956 0.77 HTR1D (0.40) HTR1DHTR1BMAPTKDM4EGAA
SCHEMBL14863730 0.76 MEN1 (0.47) HTR1ATSHRHSD17B10
SCHEMBL7740374 0.76 MAPT (0.50) MAPTKDM4EALDH1A1GAATSHR
SCHEMBL2876088 0.75 MEN1 (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL22643896 0.75 GAA (0.34) ALDH1A1GAAHPGDHSD17B10GSK3B
SCHEMBL21217945 0.75 TSHR (0.49) HTR1AHTR1DHTR1BHTR3EHTR3B
SCHEMBL7740372 0.75 HSP90AA1 (0.37) HTR1AMAPTALDH1A1HPGDTSHR

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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2021-11-18 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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR HTR1A 1685/4885HTR1D 1537/4885HTR1B 597/4885

“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.