SCHEMBL3668615

SCHEMBL3668615

O=C(Nn1cnnn1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL10936307 0.83 TSHR (0.53) KMT2ARAB9AMEN1KDM4EALDH1A1
SCHEMBL10788877 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6163277 0.77 NPC1 (0.52) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL12841358 0.74 TSHR (0.70) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL458013 0.73 CYP3A4 (0.51) SMN1; SMN2KMT2ARAB9AMEN1POLB
SCHEMBL6663174 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9713098 0.71 CYP3A4 (0.49) KMT2ARAB9AMEN1MAPTCYP3A4
SCHEMBL918756 0.69 NOTUM (0.47) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL27519269 0.69 HSD11B1 (0.54) RAB9AALDH1A1POLBCYP3A4CYP2C9
SCHEMBL1118125 0.68 NOTUM (0.45) SMN1; SMN2KMT2ARAB9AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520414-B Substituted N- (-1, 3, 4-oxadiazol-2-yl) aryl carboxamides and their use as herbicides 拜耳作物科学股份公司 2023-11-28 CN disclosed
US-11304418-B2 Substituted n-(-1,3,4-oxadiazole-2-yl)aryl carboxamides and the use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2022-04-19 US disclosed
US-20210076680-A1 SUBSTITUTED N-(-1,3,4-OXADIAZOLE-2-YL)ARYL CARBOXAMIDES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-03-18 US disclosed
EP-3601242-A1 SUBSTITUTED N-(-1,3,4-OXADIAZOLE-2-YL)ARYL CARBOXAMIDES AND THE USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2020-02-05 EP disclosed
WO-2018177871-A1 SUBSTITUTED N-(-1,3,4-OXADIAZOLE-2-YL)ARYL CARBOXAMIDES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 WO disclosed
EP-2152677-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-17 EP disclosed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 WO disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
CN-1143856-C Novel substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) [1,4] diazepan-1-yl)-1-(aryl) butyl) benzamides useful for treatment of allergic diseases ���µ�˹ҩ�﹫˾ 2004-03-31 CN disclosed
CN-1136191-C Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists ������ҩ�����޹�˾ 2004-01-28 CN disclosed
CN-1115341-C Novel substituted N-methyl-N- (4- (4- (1H-benzimidazol-2-ylamino) piperidin-1-yl) -2- (aryl) butyl) benzamides for the treatment of allergic diseases AVENTIS PHARMACEUTICALS CORP (US) 2003-07-23 CN disclosed
CN-1096460-C Novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases AVENTIS PHARMA INC (US) 2002-12-18 CN 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-11304418-B2 Substituted n-(-1,3,4-oxadiazole-2-yl)aryl carboxamides and the use thereof as herbicides DDT, NAT1, AADAC SMN1; SMN2 1878/4885KMT2A 771/4885RAB9A 4414/4885
US-20210076680-A1 SUBSTITUTED N-(-1,3,4-OXADIAZOLE-2-YL)ARYL CARBOXAMIDES AND THE USE THEREOF AS HERBICIDES DDT, NAT1, AADAC SMN1; SMN2 1878/4885KMT2A 771/4885RAB9A 4414/4885

“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.