SCHEMBL3290449

SCHEMBL3290449

COS(=O)(=O)[O-].Cc1n(C)c2ccccc2[n+]1C

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
KDM4E B2RXH2 7/20 0.57
RAB9A P51151 4/20 0.57
POLB P06746 1/20 0.57
PKM P14618 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TERT O14746 2/20 0.42
RAD52 P43351 2/20 0.41
PSMD14 O00487 1/20 0.41
ERAP1 Q9NZ08 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL1049324 0.83 ERAP1 (0.50) LMNAKDM4ERAB9APOLBPKM
Water SCHEMBL21823213 0.82 ERAP1 (0.49) LMNAKDM4ERAB9APOLBPKM
Iodide SCHEMBL9134481 0.82 PTPN1 (0.50) LMNAKDM4ERAB9APOLBMAPT
SCHEMBL18784573 0.80 LMNA (0.58) LMNAKDM4ERAB9APOLBPKM
SCHEMBL18784557 0.78 LMNA (0.56) LMNAKDM4ERAB9APOLBPKM
SCHEMBL7250788 0.77 ERAP1 (0.49) LMNAKDM4ERAB9AMAPTALDH1A1
SCHEMBL18784422 0.76 LMNA (0.54) LMNAKDM4ERAB9APOLBPKM
SCHEMBL18784401 0.75 LMNA (0.53) LMNAKDM4ERAB9APOLBPKM
SCHEMBL18784495 0.74 LMNA (0.52) LMNAKDM4ERAB9APOLBPKM
Dimethylformamide SCHEMBL18784393 0.73 LMNA (0.51) LMNAKDM4ERAB9APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 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 (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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST LMNA 1772/4885KDM4E 3597/4885RAB9A 4381/4885

“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.