SCHEMBL17363539

SCHEMBL17363539

C[N+](C)=C1C=CC2=C(C1)Sc1ccccc1N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 9/20 0.43
▸ GAA P10253 8/20 0.43
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ SNCA P37840 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 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
SCHEMBL17363623 0.80 MAPT (0.34) MAPT
Hydrochloric Acid SCHEMBL4227553 0.79 MAPT (0.34) MAPT
SCHEMBL87790 0.76 GAA (0.47) NOX1GAAMAPTMEN1KMT2A
SCHEMBL7790923 0.76 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
SCHEMBL563959 0.72 GAA (0.42) NOX1GAAMAPTMEN1KMT2A
SCHEMBL433635 0.68 MAPT (0.39) NOX1GAAMAPTMEN1KMT2A
SCHEMBL434466 0.68 MAPT (0.46) NOX1GAAMAPTMEN1KMT2A
SCHEMBL2536442 0.68 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL433232 0.68 NOX1 (0.42) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1201818 0.67 L3MBTL1 (0.45) NOX1GAAMAPTMEN1KMT2A

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-9988418-B2 Methods for reducing aggregate levels in protein preparations by treatment with thio-heterocyclic cations AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-06-05 — — US disclosed
US-20150376230-A1 METHODS FOR REDUCING AGGREGATE LEVELS IN PROTEIN PREPARATIONS BY TREATMENT WITH THIO-HETEROCYCLIC CATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-31 — — 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-20150376230-A1 METHODS FOR REDUCING AGGREGATE LEVELS IN PROTEIN PREPARATIONS BY TREATMENT WITH THIO-HETEROCYCLIC CATIONS HTT, TIA1, TTR NOX1 3376/4885GAA 3148/4885MAPT 112/4885

“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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