SCHEMBL3610171

SCHEMBL3610171

Cc1ccc(C(=O)NNC(=O)c2cccnc2)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CFTR P13569 2/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRAF P15056 1/20 0.47
CYP2C19 P33261 1/20 0.47
FTO Q9C0B1 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL3615933 0.90 KMT2A (0.59) KMT2AKDM4EMAPTRAB9AALDH1A1
SCHEMBL3609644 0.79 GRM5 (0.59) KMT2ACYP3A4GAABRAFFTO
SCHEMBL3614562 0.78 CYP11B1 (0.68) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL5361880 0.77 HDAC1 (0.74) KMT2AALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL13381489 0.76 KMT2A (0.68) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL3817006 0.74 VNN1 (0.45) KMT2AKDM4ERAB9AALDH1A1MEN1
SCHEMBL22341320 0.74 FTO (0.67) KMT2AKDM4ERAB9AALDH1A1POLB
SCHEMBL12078946 0.73 CYP11B1 (0.64) RAB9AALDH1A1LMNAGAABRAF
SCHEMBL3603838 0.73 HDAC1 (0.55) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL18136525 0.73 KMT2A (0.63) KMT2AKDM4EALDH1A1POLBCYP3A4

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 KMT2A 3495/4885KDM4E 3713/4885MAPT 1001/4885

“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.