SCHEMBL6785812

SCHEMBL6785812

CCCCCCN(C)c1ccc(C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 1/20 0.48
▸ DNM1 Q05193 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ MYC P01106 1/20 0.46
▸ MAX P61244 1/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NCOA3 Q9Y6Q9 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ CISD1 Q9NZ45 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL6785809 1.00 ALDH1A1 (0.48) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6788428 0.90 DNM1 (0.48) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6791928 0.90 DNM1 (0.48) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6795746 0.90 FFAR1 (0.48) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6785608 0.89 ALDH1A1 (0.47) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6785606 0.89 ALDH1A1 (0.47) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6792514 0.86 MAPK1 (0.60) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL6792516 0.86 MAPK1 (0.60) ALDH1A1MAOAMAOBDNM1MCHR1
SCHEMBL7486836 0.86 CISD1 (0.62) ALDH1A1MAOAMYCMAXMAPT
SCHEMBL7486833 0.86 CISD1 (0.62) ALDH1A1MAOAMYCMAXMAPT

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
EP-1192144-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP claimed
WO-2000076988-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO claimed
US-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-10-07 — — US disclosed
EP-1192144-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076988-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO 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-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives APP, PSEN1, PSEN2 ALDH1A1 1741/4885MAOA 239/4885MAOB 332/4885

“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.

Send feedback