SCHEMBL18711348

SCHEMBL18711348

CC(=O)N1CCN(c2ncc(-c3ccc(F)nc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
SPR P35270 2/20 0.50
CHEK1 O14757 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SCD O00767 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 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
SCHEMBL18702201 0.87 TP53 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711342 0.84 SPR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711340 0.82 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711343 0.81 SPR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711775 0.81 MAPT (0.56) SPRNPC1RAB9AMAPTALDH1A1
SCHEMBL18711339 0.79 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711337 0.77 SPR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5987393 0.74 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18702031 0.73 SPR (0.51) SPRNPC1RAB9ATP53MAPT
SCHEMBL5988759 0.73 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP 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 HDAC3 1475/4885HDAC4 2929/4885HDAC1 1719/4885

“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.