SCHEMBL17591100

SCHEMBL17591100

CC(=O)N1c2ccc(N=O)cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 6/20 0.71
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NOS1 P29475 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ APAF1 O14727 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL29850622 0.89 SNCA (0.86) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL1208152 0.89 SNCA (0.86) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL21752000 0.83 SNCA (1.00) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL19398391 0.83 SNCA (0.76) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL21751995 0.80 SNCA (1.00) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL21771119 0.74 SNCA (0.71) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8226190 0.73 SNCA (0.67) SNCAMAPTGAANOX1SIRT2
SCHEMBL8226386 0.72 SNCA (0.78) SNCAMAPTGAANOX1SIRT2
SCHEMBL17999732 0.71 SNCA (0.84) SNCAMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL17999733 0.71 SNCA (0.84) SNCAMAPTLMNAMAPK1SMN1; SMN2

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-9907804-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES LTD. (SG) 2018-03-06 — — US disclosed
US-20160237048-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2016-08-18 — — US disclosed
US-20160237048-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2016-08-18 — — US disclosed
EP-2673266-B1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LAB LTD (SG) 2016-07-27 — — EP disclosed
US-9283230-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES LTD. (SG) 2016-03-15 — — 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-20160237048-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE QDPR, SLC35A1, SLC6A7 SNCA 427/4885MAPT 184/4885LMNA 3722/4885

“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.

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