SCHEMBL3608476

SCHEMBL3608476

Cc1ccc(C(=O)NNC(=O)c2cccc(C#N)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.56
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
BRAF P15056 1/20 0.48
VNN1 O95497 10/20 0.47
KAT6A Q92794 1/20 0.46

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
SCHEMBL3613882 0.84 VNN1 (0.49) GRM5VNN1KAT6A
SCHEMBL3611579 0.84 MEN1 (0.55) GRM5VNN1KAT6A
SCHEMBL3610584 0.83 KAT6A (0.59) GRM5KAT6A
SCHEMBL3609644 0.82 GRM5 (0.59) GRM5HDAC1HDAC6BRAFVNN1
SCHEMBL4371735 0.80 ROCK2 (0.56) VNN1
SCHEMBL13130248 0.79 GRM5 (0.55) GRM5KAT6A
SCHEMBL3619271 0.78 GRM5 (0.59) GRM5VNN1KAT6A
SCHEMBL3607233 0.77 GRM5 (0.51) GRM5BRAFKAT6A
SCHEMBL18987060 0.75 PDCD1 (0.51) GRM5KAT6A
SCHEMBL29470218 0.75 PDCD1 (0.51) GRM5KAT6A

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 GRM5 154/4885HDAC1 1020/4885HDAC6 804/4885

“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.