SCHEMBL9684012

SCHEMBL9684012

CCc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
SIGMAR1 Q99720 12/20 0.56
HTR1A P08908 4/20 0.53
HTR2C P28335 3/20 0.53
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HRH1 P35367 1/20 0.49
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL9685737 0.87 SIGMAR1 (0.64) SIGMAR1HTR1AHTR2CADRA2AADRA2B
SCHEMBL7765471 0.85 SIGMAR1 (0.54) MAPTSIGMAR1HTR1AHTR2CADRA2A
SCHEMBL9027509 0.85 SIGMAR1 (0.54) MAPTSIGMAR1HTR1AHTR2CADRA2A
SCHEMBL7766393 0.85 SIGMAR1 (0.56) MAPTSIGMAR1HTR1AHTR2CADRA2A
SCHEMBL9685601 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2CADRA2AADRA2B
SCHEMBL9484568 0.83 SIGMAR1 (0.62) SIGMAR1HTR1AHTR2CADRA2AADRA2B
SCHEMBL7761420 0.82 SIGMAR1 (0.59) SIGMAR1HTR1AHTR2CADRA2AADRA2B
SCHEMBL8114236 0.82 SIGMAR1 (0.59) SIGMAR1HTR1AHTR2CADRA2AADRA2B
Hydrochloric Acid SCHEMBL8871795 0.81 SIGMAR1 (0.57) SIGMAR1HTR1AHTR2CADRA2AADRA2B
SCHEMBL9686129 0.81 SIGMAR1 (0.63) MAPTSIGMAR1HTR1AHTR2C

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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 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-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 MAPT 2867/4885SIGMAR1 3936/4885HTR1A 4695/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 MAPT 3834/4885SIGMAR1 3433/4885HTR1A 4514/4885

“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.