SCHEMBL18702137

SCHEMBL18702137

CC(C)(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SPR P35270 1/20 0.49
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCD O00767 3/20 0.42
PDK2 Q15119 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL18711339 0.87 HDAC3 (0.52) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702201 0.81 TP53 (0.49) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702031 0.79 SPR (0.51) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702193 0.78 NPC1 (0.49) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702024 0.77 RAB9A (0.61) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702042 0.76 SPR (0.50) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702195 0.74 SPR (0.49) TP53MAPTNPC1RAB9ASPR
SCHEMBL18702136 0.74 SPR (0.51) TP53MAPTNPC1RAB9ASPR
SCHEMBL18997524 0.72 SMN1; SMN2 (0.63) TP53MAPTMEN1KMT2A
SCHEMBL18701975 0.71 MAPT (0.47) TP53MAPTNPC1RAB9ACKS1B

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 TP53 4530/4885MAPT 3010/4885NPC1 2977/4885

“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.