SCHEMBL13386271

SCHEMBL13386271

Fc1cccc2[s+]c3ccccc3nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 6/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 2/20 0.33
PRNP P04156 1/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32

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
SCHEMBL13386097 0.86 SMN1; SMN2 (0.39) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL50667 0.76 MAPT (0.56) RAB9AALDH1A1NPC1MAPTGAA
Iodide SCHEMBL2593593 0.76 NQO2 (0.36) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL4756517 0.74 MAPT (0.39) RAB9AALDH1A1MAPTGAASMN1; SMN2
Water SCHEMBL9932582 0.74 ESR1 (0.39) ALDH1A1MAPK1TDP1L3MBTL1PARP1
Hydrochloric Acid SCHEMBL740017 0.74 MAPT (0.53) RAB9AALDH1A1NPC1MAPTGAA
Hydrochloric Acid SCHEMBL31542018 0.74 MAPT (0.53) RAB9AALDH1A1NPC1MAPTGAA
Iodide SCHEMBL1471059 0.74 MAPT (0.53) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL12273467 0.73 CA1 (0.40) RAB9AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL13386109 0.73 CA2 (0.35) RAB9AALDH1A1MAPTGAAKMT2A

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 3 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-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 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-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 RAB9A 2492/4885ALDH1A1 1002/4885NPC1 1512/4885

“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.