SCHEMBL6895617

SCHEMBL6895617

c1ccc(CCNCCSSCCNCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.63
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
KCNH2 Q12809 2/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
ATM Q13315 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL283735 0.86 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2CA12
Hydrochloric Acid SCHEMBL6895868 0.85 SIGMAR1 (0.52) SIGMAR1GAAMAPTKCNH2CA12
SCHEMBL13937400 0.84 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CA12
Hydrochloric Acid SCHEMBL5028920 0.84 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CA12
SCHEMBL8140699 0.84 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CA12
Hydrochloric Acid SCHEMBL6898327 0.82 SIGMAR1 (0.57) SIGMAR1GAAMAPTKCNH2ATM
Hydrochloric Acid SCHEMBL6896622 0.80 SIGMAR1 (0.55) SIGMAR1GAAMAPTKCNH2
SCHEMBL8358627 0.80 SIGMAR1 (0.66) SIGMAR1GAAMAPTCA2
SCHEMBL11370850 0.80 MEN1 (0.70) SIGMAR1GAAMAPT
SCHEMBL9768701 0.79 SIGMAR1 (0.86) SIGMAR1GAAMAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH SIGMAR1 26/4885GAA 2480/4885MAPT 2496/4885

“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.