SCHEMBL4258915

SCHEMBL4258915

C[n+]1ccccc1N.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
TERT O14746 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5762355 0.83 LMNA (0.51) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL30099886 0.81 LMNA (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL18577930 0.81 LMNA (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL103421 0.81 LMNA (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL717113 0.81 LMNA (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL31753460 0.81 LMNA (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL8381110 0.78 SMN1; SMN2 (0.47) HTTLMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL11505821 0.78 HTR1A (0.40) HTTLMNASMN1; SMN2TERTKDM4E
SCHEMBL1982598 0.78 TERT (0.49) HTTLMNASMN1; SMN2CA12CA9
SCHEMBL23220 0.77 LMNA (0.46) HTTLMNASMN1; SMN2CA12CA9

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-20090076067-A1 PHARMACEUTICAL COMPOSITION COMPRISING AZARHODACYANINE COMPOUND AS ACTIVE INGREDIENT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-03-19 US disclosed
EP-1894920-A1 PHARMACEUTICAL COMPOSITION COMPRISING AZARHODACYANINE COMPOUND AS ACTIVE INGREDIENT Japan Science and Technology Agency (JP) 2008-03-05 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-20090076067-A1 PHARMACEUTICAL COMPOSITION COMPRISING AZARHODACYANINE COMPOUND AS ACTIVE INGREDIENT CTSA, GPAA1, CD47 HTT 1035/4885LMNA 1097/4885SMN1; SMN2 887/4885

“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.