SCHEMBL345354

SCHEMBL345354

CC(C)(C)N(C(=O)O)c1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
ACHE P22303 5/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RAF1 P04049 4/20 0.33
BRAF P15056 4/20 0.33
GLA P06280 1/20 0.33
HDAC8 Q9BY41 3/20 0.32
P2RX7 Q99572 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL346900 0.82 GHSR (0.46) GHSRACHECA1CA2HDAC8
SCHEMBL436855 0.76 GHSR (0.46) GHSRACHECA1CA2HDAC8
SCHEMBL10265063 0.75 RAF1 (0.41) GHSRACHECA1CA2NPC1
SCHEMBL1029293 0.75 RXRA (0.51) NPC1RAB9ARXRARXRBRXRG
SCHEMBL438194 0.75 KMT2A (0.45) GHSRNPC1RAB9AHDAC8HDAC6
SCHEMBL10265906 0.74 NPC1 (0.51) GHSRCA1NPC1RAB9ARAF1
SCHEMBL10197709 0.73 HDAC8 (0.46) HDAC8HDAC6
SCHEMBL10260016 0.72 FAAH (0.51) GHSRHDAC8HDAC6
SCHEMBL10197641 0.72 MTNR1A (0.60) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL346641 0.72 GHSR (0.49) GHSRNPC1RAB9A

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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GHSR 1236/4885ACHE 3602/4885CA1 400/4885

“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.