SCHEMBL15423915

SCHEMBL15423915

O=C(O)C1N=C(c2ccccc2O)SC1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 13/20 0.44
HTR2C P28335 6/20 0.44
HTR1D P28221 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1E P28566 3/20 0.38
HTR3A P46098 3/20 0.38
HTR6 P50406 2/20 0.38
HTR5A P47898 1/20 0.38
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
THRB P10828 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
SCHEMBL12469329 0.82 HTR2B (0.58) HTR2BHTR2CHTR1DHTR2AHTR1E
SCHEMBL3305343 0.73 HTR2B (0.51) HTR2BHTR2CHTR1DHTR2AHTR1E
SCHEMBL3372129 0.69 HTR2B (0.46) HTR2BHTR2CALDH1A1HPGDBCL2L1
SCHEMBL26117247 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL1534272 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL1686982 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL30608416 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL11050644 0.67 HTR2B (0.74) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL3329469 0.66 HTR2B (0.43) HTR2BHTR2CHTR1DHTR2AHTR3A
SCHEMBL15423051 0.65 HTR2B (0.43) HTR2BHTR2CHTR1DHTR2AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751847-B2 Methods and compositions related to neuroactive thiazoline compounds UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-09-05 US disclosed
US-20140018400-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-01-16 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-20140018400-A1 METHODS AND COMPOSITIONS RELATED TO NEUROACTIVE THIAZOLINE COMPOUNDS TACR2, TACR3, TACR1 HTR2B 58/4885HTR2C 9/4885HTR1D 154/4885

“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.