SCHEMBL2977013

SCHEMBL2977013

CCCc1cc(C(N)=O)ccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.41
PARP10 Q53GL7 1/20 0.41
RXRA P19793 2/20 0.40
PARP1 P09874 2/20 0.39
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR2C P28335 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
HTR1B P28222 1/20 0.39
HTR7 P34969 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 2/20 0.38

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
SCHEMBL2967220 0.90 GABRP (0.44) HSD17B10CYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL17474254 0.89 HTR1A (0.42) HSD17B10CYP1A2MAPK1PARP10PARP1
SCHEMBL20981385 0.88 MEN1 (0.43) MAPK1KMT2AMEN1ALDH1A1SLC6A3
SCHEMBL5006032 0.87 MAPK1 (0.45) HSD17B10MAPK1PARP10PARP1KMT2A
SCHEMBL27721837 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1
SCHEMBL20553924 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1
SCHEMBL29290752 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1
SCHEMBL27804389 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1
SCHEMBL27699889 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1
SCHEMBL28080162 0.87 MEN1 (0.45) MAPK1KMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-02-23 US disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
EP-3864119-A1 LIQUID COMPOSITION WITH DIHYDROXYTEREPHTHALIC ACID DIAMIDE COMPOUND WITH A HIGH SURFACTANT QUANTITY Henkel AG & Co. KGaA (DE) 2021-08-18 EP disclosed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 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 (4 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 HSD17B10 4092/4885CYP1A2 1120/4885CYP2D6 1990/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 HSD17B10 4237/4885CYP1A2 1108/4885CYP2D6 1983/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS HSD17B10 1104/4885CYP1A2 862/4885CYP2D6 1475/4885
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 HSD17B10 2241/4885CYP1A2 2756/4885CYP2D6 2169/4885

“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.