SCHEMBL897929

SCHEMBL897929

Cc1ccc(C(C)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 4/20 0.36
CA7 P43166 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 1/20 0.35
STAT3 P40763 1/20 0.35
ADRB2 P07550 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
ALOX12 P18054 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL2865480 0.87 ADRB2 (0.41) TDP1ALDH1A1LMNAADRB2TSHR
P-Xylene SCHEMBL11301004 0.81 ACHE (0.61) ACHETDP1CHRNA7ALDH1A1CA7
SCHEMBL8750387 0.79 TYR (0.46) TDP1ALDH1A1LMNAADRB2GAA
SCHEMBL2457397 0.79 ACHE (0.50) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL30471741 0.79 TYR (0.46) TDP1ALDH1A1LMNAADRB2GAA
SCHEMBL330031 0.79 ACHE (0.50) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL9397881 0.78 CHRNA7 (0.42) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL9212725 0.78 CHRNA7 (0.42) ACHETDP1CHRNA7ALOX5ALDH1A1
P-Xylene SCHEMBL17784277 0.77 ACHE (0.67) ACHETDP1CHRNA7ALDH1A1CA7
SCHEMBL678428 0.77 ADRB2 (0.59) TDP1LMNACYP19A1ADRB2TSHR

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020145347-A1 PRODUCTION METHOD FOR α-CHLOROETHYL BENZYL CHLORIDE AND PRODUCTION METHOD FOR CHLOROMETHYLSTYRENE 長瀬産業株式会社 2020-07-16 WO claimed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US claimed
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-110770226-B Sulfoximine glycosidase inhibitors 阿森纽荣股份公司 2023-11-10 CN disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
CN-115160101-A Synthetic method of (R) -1, 3-diaryl butene compound 南京工业大学 2022-10-11 CN 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
WO-2020145347-A1 PRODUCTION METHOD FOR α-CHLOROETHYL BENZYL CHLORIDE AND PRODUCTION METHOD FOR CHLOROMETHYLSTYRENE 長瀬産業株式会社 2020-07-16 WO 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
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4019893-A Herbicidal method using 2-sulfinyl or 2-sulfonyl pyridine N-oxide derivatives UNIROYAL INC. (US) 1977-04-26 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US disclosed
US-3960542-A Herbicidal 2-sulfinyl and 2-sulfonyl pyridine N-oxide derivatives UNIROYAL INC. (US) 1976-06-01 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 ACHE 2937/4885TDP1 1378/4885CHRNA7 1734/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3586/4885TDP1 1296/4885CHRNA7 3040/4885
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 ACHE 3001/4885TDP1 1295/4885CHRNA7 1517/4885

“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.