SCHEMBL12273001

SCHEMBL12273001

Nc1ccc2nc3ccccc3[s+]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.48
ALDH1A1 P00352 9/20 0.44
MAPT P10636 8/20 0.44
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
CASP1 P29466 3/20 0.44
ATM Q13315 2/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 3/20 0.42
ACHE P22303 3/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42

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
Iodide SCHEMBL12813166 0.98 HTR3A (0.47) HTR3AALDH1A1MAPTKDM4EHSD17B10
Iodide SCHEMBL12813168 0.96 HTR3A (0.46) HTR3AALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30165715 0.90 KMT2A (0.50) HTR3AALDH1A1MAPTKDM4EHSD17B10
SCHEMBL146313 0.90 KMT2A (0.50) HTR3AALDH1A1MAPTKDM4EHSD17B10
Iodide SCHEMBL11279046 0.88 KMT2A (0.48) HTR3AALDH1A1MAPTKDM4EHSD17B10
Hydrochloric Acid SCHEMBL40555 0.88 MAPT (0.50) HTR3AALDH1A1MAPTKDM4EHSD17B10
SCHEMBL50667 0.81 MAPT (0.56) ALDH1A1MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL12620639 0.79 KDM4E (0.43) ALDH1A1MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL11281816 0.79 ALDH1A1 (0.44) HTR3AALDH1A1MAPTKDM4EHSD17B10
Iodide SCHEMBL1471059 0.79 MAPT (0.53) ALDH1A1MAPTKDM4EHSD17B10SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 EP disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US disclosed
US-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 US disclosed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 US disclosed
EP-2699241-A1 ANTIVIRAL COMPOUNDS Prosetta Antiviral Inc. (US) 2014-02-26 EP disclosed
US-20120302556-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-11-29 US disclosed
WO-2012145567-A1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC. (US) 2012-10-26 WO disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 US disclosed
WO-2012135402-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2012-10-04 WO disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 US disclosed
WO-2012125983-A1 ANTIVIRAL TREATMENTS PROSETTA ANTIVIRAL INC. (US) 2012-09-20 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 (3 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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 HTR3A 459/4885ALDH1A1 2519/4885MAPT 1842/4885
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 HTR3A 3128/4885ALDH1A1 1002/4885MAPT 1569/4885
US-20120302556-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 HTR3A 3128/4885ALDH1A1 1002/4885MAPT 1569/4885

“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.