SCHEMBL8544003

SCHEMBL8544003

COc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 2/20 0.53
G6PC1 P35575 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TRPA1 O75762 1/20 0.52
LTA4H P09960 1/20 0.52
ERN1 O75460 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.47
MIF P14174 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
FAAH O00519 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL10322462 1.00 CA2 (0.54) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL8543996 0.93 G6PC1 (0.60) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL11984337 0.93 G6PC1 (0.60) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL562215 0.91 CA2 (0.52) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL562216 0.91 CA2 (0.52) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL6124203 0.91 G6PC1 (0.51) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL11586020 0.85 CA2 (0.68) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL15551980 0.85 CA2 (0.68) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL19233526 0.83 NFE2L2 (0.56) CA2MAPTSMN1; SMN2CA1G6PC1
SCHEMBL10689028 0.82 SMN1; SMN2 (0.65) CA2SMN1; SMN2G6PC1TDP1POLB

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
US-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. 2025-06-05 US disclosed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-0671385-B1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO LTD (JP) 1998-10-14 EP disclosed
US-5663423-A Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO., LTD (JP) 1997-09-02 US disclosed
US-5532360-A REACTING WITH AZOMETHINE COMPOUND TO FORM HETEROCYCLIC COMPOUND NIPPON PAINT CO., LTD. (JP) 1996-07-02 US disclosed
EP-0671385-A1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound Nippon Paint Co., Ltd. (JP) 1995-09-13 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 (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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS STAT6, STAT3, STAT1 CA2 1174/4885MAPT 4297/4885SMN1; SMN2 3794/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CA2 4310/4885MAPT 3059/4885SMN1; SMN2 4370/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 CA2 4310/4885MAPT 3059/4885SMN1; SMN2 4370/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CA2 4310/4885MAPT 3059/4885SMN1; SMN2 4370/4885

“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.