SCHEMBL5317577

SCHEMBL5317577

CC(=O)N(C)Cc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.61
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2A6 P11509 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL5118098 0.87 NSD2 (0.63) NSD2POLBCYP2A6SIGMAR1TMEM97
SCHEMBL5317572 0.84 NSD2 (0.60) NSD2POLBCYP2A6SIGMAR1TMEM97
SCHEMBL19049393 0.83 NSD2 (0.58) NSD2POLBALDH1A1SMN1; SMN2CYP2A6
SCHEMBL14540450 0.81 NSD2 (0.57) NSD2POLBCYP2A6SIGMAR1TMEM97
SCHEMBL19002498 0.80 NSD2 (0.56) NSD2POLBALDH1A1SMN1; SMN2CYP2A6
SCHEMBL10194674 0.80 NSD2 (0.56) NSD2POLBCYP2A6SIGMAR1TMEM97
SCHEMBL24827589 0.79 NSD2 (0.55) NSD2POLBALDH1A1SMN1; SMN2CYP2A6
SCHEMBL19002504 0.79 NSD2 (0.55) NSD2POLBALDH1A1SMN1; SMN2CYP2A6
SCHEMBL6361556 0.79 NSD2 (0.51) NSD2POLBCYP2A6SIGMAR1TMEM97
SCHEMBL6163419 0.79 NSD2 (0.58) NSD2POLBALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10674727-B2 Substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2020-06-09 US disclosed
US-20180368409-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-12-27 US disclosed
EP-3376868-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-26 EP disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 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 (2 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-10674727-B2 Substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, FOXO3, NOXO1 NSD2 2825/4885POLB 3297/4885ALDH1A1 666/4885
US-20180368409-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, FOXO3, NOXO1 NSD2 2825/4885POLB 3297/4885ALDH1A1 666/4885

“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.