SCHEMBL18648609

SCHEMBL18648609

NCCC1CC2CCCC(C1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL19288569 0.90 GRIN2D (0.33) MAPTSIGMAR1NOS3NOS1NOS2
SCHEMBL12515038 0.89 MAPT (0.35) MAPTSIGMAR1
SCHEMBL20467389 0.79 MAPT (0.32) MAPT
SCHEMBL18633989 0.79 NCF1 (0.39) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24696328 0.77 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2
SCHEMBL14771563 0.77 SIGMAR1 (0.34) SIGMAR1NOS3NOS1NOS2
SCHEMBL11857523 0.76 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL185540 0.76 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL24064245 0.76 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2
SCHEMBL11857534 0.76 SIGMAR1 (0.42) SIGMAR1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9597674-B2 Z-selective olefin metathesis catalysts and their synthetic procedure CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-21 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 (2 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-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 MAPT 1230/4885SIGMAR1 913/4885NOS3 2631/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 MAPT 1270/4885SIGMAR1 853/4885NOS3 2509/4885

“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.