SCHEMBL2073651

SCHEMBL2073651

O=c1sc2cc(Br)ccc2n1CCO

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.59
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2073954 0.88 SIGMAR1 (0.54) SIGMAR1HTTL3MBTL1CNR2
SCHEMBL3043755 0.87 SIGMAR1 (0.54) SIGMAR1HTTL3MBTL1ADRA2AADRA2B
SCHEMBL14681114 0.84 SIGMAR1 (0.59) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL7712083 0.82 SIGMAR1 (0.63) SIGMAR1CNR2
SCHEMBL28909421 0.81 SIGMAR1 (0.54) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL2403333 0.79 SIGMAR1 (0.50) SIGMAR1CNR2MAPT
SCHEMBL2407440 0.79 SIGMAR1 (0.50) SIGMAR1HTTL3MBTL1MAPT
SCHEMBL12124672 0.79 SIGMAR1 (0.66) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL17288108 0.77 SIGMAR1 (0.51) SIGMAR1HTTADRA2AADRA2BADRA2C
SCHEMBL7716707 0.77 SIGMAR1 (0.51) SIGMAR1L3MBTL1ADRA2AADRA2BADRA2C

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 — — US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — 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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R SIGMAR1 229/4885HTT 3449/4885L3MBTL1 4029/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R SIGMAR1 229/4885HTT 3449/4885L3MBTL1 4029/4885

“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.

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