SCHEMBL18711985

SCHEMBL18711985

CC(C)NC(=O)c1cc(C2CC2)[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.59
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LRRK2 Q5S007 1/20 0.51
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL18711801 0.83 HCAR2 (0.65) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL18851656 0.80 HCAR2 (0.47) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL29276120 0.80 HCAR2 (0.65) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL23950164 0.80 HCAR2 (0.65) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL25139439 0.80 HCAR2 (0.65) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL18711808 0.79 HCAR2 (0.59) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL18711982 0.79 HCAR2 (0.59) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL25139438 0.77 HCAR2 (0.71) HCAR2NPC1RAB9AMEN1KMT2A
SCHEMBL164014 0.76 ADORA3 (0.45) HCAR2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18896203 0.76 DAO (0.56) HCAR2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR2 40/4885NPC1 2977/4885RAB9A 4069/4885

“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.