SCHEMBL4659997

SCHEMBL4659997

CCOC(=O)NN=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MIF P14174 1/20 0.42
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3522854 0.84 RAB9A (0.47) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL3517357 0.84 RAB9A (0.47) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL3522852 0.84 RAB9A (0.47) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL10343768 0.83 RAB9A (0.46) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL9523119 0.81 MAPT (0.75) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL28349630 0.80 ALOX15 (0.46) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL639726 0.79 ALDH1A1 (0.50) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL28126111 0.79 RAB9A (0.48) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL9523126 0.78 MAPT (0.43) RAB9AMAPTALDH1A1GAACYP1A2
SCHEMBL8475744 0.77 ALOX15 (0.43) RAB9AMAPTALDH1A1GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-30 US disclosed
EP-3455224-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-03-20 EP disclosed
CN-109476658-A Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof 拜耳公司 2019-03-15 CN disclosed
WO-2017194459-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2017-11-16 WO disclosed
EP-2004595-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES Schering-Plough Ltd. (CH) 2008-12-24 EP disclosed
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (CH) 2007-10-11 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 (3 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-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF THPO, PTGIS, PYCR1 RAB9A 4108/4885MAPT 3722/4885ALDH1A1 1097/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B RAB9A 4159/4885MAPT 3881/4885ALDH1A1 604/4885
US-20070238700-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES NAT1, NGLY1, ELANE RAB9A 831/4885MAPT 4497/4885ALDH1A1 894/4885

“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.