SCHEMBL3615933

SCHEMBL3615933

Cc1cc(C(=O)NNC(=O)c2cccnc2)ccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
RAB9A P51151 1/20 0.49
CFTR P13569 2/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2C19 P33261 1/20 0.47
S1PR3 Q99500 1/20 0.47
FTO Q9C0B1 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
SCHEMBL3610171 0.90 KMT2A (0.59) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL12078946 0.84 CYP11B1 (0.64) ALDH1A1LMNARAB9AGAA
SCHEMBL15955802 0.79 S1PR3 (0.54) S1PR3
SCHEMBL3609644 0.79 GRM5 (0.59) KMT2ACYP3A4GAAFTO
SCHEMBL3614562 0.78 CYP11B1 (0.68) KMT2AALDH1A1POLBCYP3A4MAPT
SCHEMBL5361880 0.77 HDAC1 (0.74) KMT2AALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL13381489 0.76 KMT2A (0.68) KMT2AALDH1A1POLBCYP3A4MAPT
SCHEMBL15920701 0.74 S1PR3 (0.58) S1PR3
SCHEMBL22341320 0.74 FTO (0.67) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL3603838 0.73 HDAC1 (0.55) KMT2AMEN1SMN1; SMN2RAB9AGAA

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 3495/4885ALDH1A1 1090/4885POLB 3539/4885

“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.