SCHEMBL17802425

SCHEMBL17802425

CCCCOc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
VCAM1 P19320 1/20 0.46
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
PLA2G4B P0C869 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MCL1 Q07820 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 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
SCHEMBL25666819 0.94 MAPT (0.64) MAPTTLR4TLR2ALDH1A1HIF1A
SCHEMBL29739619 0.94 MAPT (0.64) MAPTTLR4TLR2ALDH1A1HIF1A
SCHEMBL3127806 0.88 ALDH1A1 (0.49) MAPTALDH1A1HIF1ALMNANPC1
SCHEMBL12210768 0.88 MAPT (0.60) MAPTTLR4TLR2ALDH1A1LMNA
SCHEMBL29739504 0.87 MAPT (0.62) MAPTALDH1A1HIF1ALMNANPC1
SCHEMBL1189617 0.87 MAPT (0.62) MAPTALDH1A1HIF1ALMNANPC1
SCHEMBL14334509 0.86 PTGES (0.49) MAPTALDH1A1HIF1ALMNANPC1
SCHEMBL20982525 0.85 CHRNB2 (0.50) MAPTALDH1A1HIF1AVCAM1
SCHEMBL14334126 0.84 ALDH1A1 (0.49) MAPTALDH1A1HIF1ALMNAKMT2A
SCHEMBL15923825 0.84 MAPT (0.56) MAPTTLR4TLR2ALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205993-B Organic compounds 细胞内治疗公司 2021-03-09 CN disclosed
EP-3226862-B1 PHOSPHODIESTERASE 2 (PDE2) INHIBITORY COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2020-07-08 EP disclosed
US-10543194-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2020-01-28 US disclosed
US-20190000807-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-03 US disclosed
US-10105349-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-10-23 US disclosed
US-20170360753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-12-21 US disclosed
EP-3226862-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2017-10-11 EP disclosed
WO-2016090382-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-06-09 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 (4 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-20170360753-A1 ORGANIC COMPOUNDS PDE2A, PDE12, PDE3A MAPT 1514/4885TLR4 4534/4885TLR2 4496/4885
US-10105349-B2 Organic compounds PDE2A, PDE12, PDE3A MAPT 1514/4885TLR4 4534/4885TLR2 4496/4885
US-20190000807-A1 ORGANIC COMPOUNDS PDE2A, PDE12, PDE3A MAPT 1514/4885TLR4 4534/4885TLR2 4496/4885
US-10543194-B2 Organic compounds PDE2A, PDE12, PDE3A MAPT 1514/4885TLR4 4534/4885TLR2 4496/4885

“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.