SCHEMBL16635990

SCHEMBL16635990

c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc2nc3c4ncccc4c4ncccc4c3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
HSP90AA1 P07900 2/20 0.50
CYP3A4 P08684 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DHFR P00374 1/20 0.47
CCR1 P32246 3/20 0.46
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GMNN O75496 1/20 0.44
MMP2 P08253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL30565589 1.00 L3MBTL1 (0.50) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL351170 1.00 L3MBTL1 (0.50) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL5798270 0.98 CYP3A4 (0.48) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL17274754 0.98 CYP3A4 (0.48) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL6649771 0.96 CYP3A4 (0.47) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL166826 0.96 L3MBTL1 (0.54) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL30185055 0.96 L3MBTL1 (0.54) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL30185058 0.96 L3MBTL1 (0.54) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL29390114 0.96 L3MBTL1 (0.54) L3MBTL1HSP90AA1CYP3A4NPC1LMNA
SCHEMBL31011006 0.93 L3MBTL1 (0.52) L3MBTL1HSP90AA1CYP3A4NPC1LMNA

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
US-20160250303-A1 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIV MIAMI (US) 2016-09-01 US disclosed
EP-3054946-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION University Of Miami (US) 2016-08-17 EP disclosed
WO-2015054374-A2 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION UNIVERSITY OF MIAMI (US) 2015-04-16 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 (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-20160250303-A1 PERFORIN-2 ACTIVATORS AND INHIBITORS AS DRUG TARGETS FOR INFECTIOUS DISEASE AND GUT INFLAMMATION PRF1, GZMB, PSME2 L3MBTL1 2935/4885HSP90AA1 1754/4885CYP3A4 2412/4885

“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.