SCHEMBL7349339

SCHEMBL7349339

CC1Oc2ccccc2N(C(C)C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
TSHR P16473 6/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
XIAP P98170 1/20 0.41
MAOA P21397 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL21486491 0.84 TSHR (0.47) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL13091065 0.81 TSHR (0.54) PDE3BPDE3ATSHRALDH1A1HTT
SCHEMBL29348279 0.80 PDE3B (0.47) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL21483647 0.80 PDE3B (0.53) PDE3BPDE3ATSHRALDH1A1HTT
SCHEMBL29348226 0.80 PDE3B (0.47) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL14169857 0.79 XIAP (0.41) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL3401752 0.77 TSHR (0.51) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL29354025 0.77 TSHR (0.51) PDE3BPDE3ATSHRALDH1A1L3MBTL1
SCHEMBL3346848 0.75 XIAP (0.39) PDE3BPDE3AALDH1A1L3MBTL1HTT
SCHEMBL28246067 0.75 PDE3B (0.49) PDE3BPDE3ATSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 CN disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 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-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 PDE3B 1382/4885PDE3A 2024/4885TSHR 959/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 PDE3B 1380/4885PDE3A 2092/4885TSHR 1185/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 PDE3B 338/4885PDE3A 325/4885TSHR 753/4885

“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.