SCHEMBL3609644

SCHEMBL3609644

N#Cc1cccc(C(=O)NNC(=O)c2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.59
BRAF P15056 1/20 0.57
VNN1 O95497 3/20 0.54
KMT2A Q03164 2/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FTO Q9C0B1 1/20 0.51
GAA P10253 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
NAMPT P43490 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL3619271 0.87 GRM5 (0.59) GRM5VNN1
SCHEMBL3610584 0.86 KAT6A (0.59) GRM5NAMPT
SCHEMBL3614562 0.85 CYP11B1 (0.68) KMT2AHDAC1HDAC6FTOGAA
SCHEMBL9192453 0.84 VNN1 (0.64) GRM5BRAFVNN1
SCHEMBL15847396 0.83 BRAF (0.77) GRM5BRAFNAMPTCYP11B1CYP11B2
SCHEMBL3608476 0.82 GRM5 (0.56) GRM5BRAFVNN1HDAC1HDAC6
SCHEMBL5361880 0.81 HDAC1 (0.74) KMT2AHDAC1HDAC6FTOGAA
SCHEMBL11627692 0.80 VNN1 (0.67) VNN1CYP3A4NAMPT
SCHEMBL17237438 0.80 NPC1 (0.67) VNN1KMT2AGAANAMPT
SCHEMBL3611579 0.80 MEN1 (0.55) GRM5VNN1KMT2AGAA

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO 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 154/4885BRAF 3216/4885VNN1 1390/4885

“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.