SCHEMBL3308714

SCHEMBL3308714

COc1cc(CSC)c(Br)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.47
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
HTR2C P28335 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL11949285 0.81 HTR2A (0.51) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11949276 0.80 HTR2A (0.58) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL1542560 0.80 HTR2A (0.50) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL2362136 0.80 HTR2A (0.50) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11957632 0.75 MTNR1A (0.47) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL29835972 0.75 MTNR1A (0.47) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL13169383 0.75 LMNA (0.53) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL8499602 0.75 LMNA (0.59) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL12302475 0.74 CYP3A4 (0.48) HTR2ALMNATP53CYP3A4HPGD
SCHEMBL11957630 0.74 MTNR1A (0.52) HTR2ALMNATP53CYP3A4HPGD

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-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B HTR2A 2942/4885LMNA 3098/4885TP53 1343/4885

“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.