SCHEMBL18858488

SCHEMBL18858488

CC(C)(C)c1cc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.48
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
STS P08842 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
AXL P30530 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.33
IDO1 P14902 1/20 0.33
PLAU P00749 1/20 0.32
CYP3A4 P08684 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
SCHEMBL19604045 0.87 CA2 (0.39) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1107922 0.80 MRGPRX1 (0.44) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5504567 0.79 SLC9A1 (0.50) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL26144289 0.77 PLAU (0.49) SLC9A1STSGABRA1MRGPRX1IDO1
SCHEMBL17400909 0.77 SLC9A1 (0.51) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17342266 0.75 HDAC3 (0.50) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5504564 0.75 SLC9A1 (0.50) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12024991 0.75 CA2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5918418 0.75 SLC9A1 (0.54) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5761571 0.75 SLC9A1 (0.47) SLC9A1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 SLC9A1 3007/4885HDAC3 462/4885HDAC4 1638/4885

“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.