SCHEMBL9045575

SCHEMBL9045575

FC(F)(F)c1nc(CCl)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.42
ALDH1A1 P00352 9/20 0.41
TDP1 Q9NUW8 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 8/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.33
IDH1 O75874 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MCHR1 Q99705 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL9262966 0.79 MCHR1 (0.34) RAB9AGAANPC1POLBIDH1
SCHEMBL12607354 0.79 IDH1 (0.33) IDH1MCHR1
SCHEMBL1569158 0.79 IDH1 (0.33) ALDH1A1IDH1MCHR1
SCHEMBL3760695 0.79 HRH1 (0.44) GFERALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL127293 0.79 IDH1 (0.33) IDH1MCHR1
SCHEMBL5329328 0.79 IDH1 (0.33) IDH1MCHR1
SCHEMBL5437866 0.79 IDH1 (0.36) IDH1MCHR1
SCHEMBL1999685 0.79 SRC (0.35) IDH1MCHR1
Hydrochloric Acid SCHEMBL30345237 0.78 IDH1 (0.32) IDH1MCHR1
SCHEMBL10588675 0.76 TAAR1 (0.34) TDP1RAB9AIDH1MCHR1

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
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
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-3019487-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-18 EP disclosed
CN-105358544-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2016-02-24 CN disclosed
US-9199963-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-01 US disclosed
WO-2015005489-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-15 WO disclosed
EP-0728752-A1 Triazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-28 EP disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP 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-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 GFER 3492/4885ALDH1A1 1097/4885TDP1 1378/4885
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 GFER 3601/4885ALDH1A1 604/4885TDP1 1295/4885

“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.