SCHEMBL18702016

SCHEMBL18702016

CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(C#N)cc3)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 6/20 0.53
MAPK1 P28482 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
AR P10275 1/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.49
SPR P35270 1/20 0.49
HSD17B10 Q99714 1/20 0.48
FAAH O00519 1/20 0.46

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
SCHEMBL18711344 0.87 MAPT (0.56) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702280 0.87 SPR (0.52) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702156 0.85 MAPT (0.71) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702019 0.85 RAB9A (0.57) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702144 0.83 MAPT (0.56) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL14046467 0.81 CHEK1 (0.57) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18711779 0.81 RAB9A (0.52) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702140 0.80 MAPT (0.55) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18701969 0.80 MAPT (0.53) MAPTLMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL18702027 0.79 MAPT (0.57) MAPTLMNAMAPK1SMN1; SMN2RAB9A

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR MAPT 3010/4885LMNA 4836/4885MAPK1 2757/4885

“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.