SCHEMBL5604281

SCHEMBL5604281

CCC=C1c2ccccc2Sc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 6/20 0.48
CYP3A4 P08684 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
ADRA2A P08913 3/20 0.48
DRD2 P14416 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1A P35348 3/20 0.48
HRH1 P35367 3/20 0.48
DRD3 P35462 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KCNH2 Q12809 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
MC3R P41968 2/20 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
SCHEMBL13961538 0.87 CYP3A4 (0.49) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL23873425 0.85 LMNA (0.69) LMNACYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL5030029 0.82 CYP3A4 (0.60) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL5030031 0.82 CYP3A4 (0.60) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL25641449 0.78 CYP3A4 (0.45) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL11871057 0.77 SLC6A2 (0.68) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL8185372 0.76 SIGMAR1 (0.50) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL15908333 0.76 SIGMAR1 (0.50) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
Prothixene SCHEMBL623020 0.76 SLC6A2 (0.76) SIGMAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL3939116 0.76 ALDH1A1 (0.65) SIGMAR1LMNACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744808-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Mount Sinai School of Medicine (US) 2014-06-25 EP disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 WO disclosed
EP-1837381-B1 Ink-jet recording ink set and ink-jet recording method FUJIFILM CORP (JP) 2011-03-02 EP disclosed
WO-2008118164-A1 COMPOUNDS TO PROMOTE REGENERATION OF BONE MARROW ZOLTAN LABORATORIES LLC (US) 2008-10-02 WO disclosed
US-20070238725-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH (US) 2007-10-11 US disclosed
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH (US) 2006-11-16 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 (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-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 SIGMAR1 1680/4885LMNA 1941/4885CYP3A4 4055/4885
US-20070238725-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders SLC6A3, GRIN2A, GRIN2C SIGMAR1 475/4885LMNA 2152/4885CYP3A4 4056/4885

“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.