SCHEMBL2739322

SCHEMBL2739322

CC(C)c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
PTGS2 P35354 1/20 0.71
RAB9A P51151 11/20 0.69
NPC1 O15118 11/20 0.69
KDM4E B2RXH2 11/20 0.65
POLB P06746 1/20 0.65
PKM P14618 5/20 0.64
EPHX2 P34913 1/20 0.64
GFER P55789 3/20 0.63
HDAC6 Q9UBN7 1/20 0.61
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MAPK1 P28482 3/20 0.59
HPGD P15428 5/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL13133728 0.89 PTGS1 (0.62) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2431742 0.88 PTGS1 (0.71) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13325909 0.87 RAB9A (0.83) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13325938 0.85 RAB9A (0.80) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11828285 0.84 PTGS1 (0.63) PTGS1PTGS2RAB9ANPC1KDM4E
Miroprofen SCHEMBL26767 0.83 PTGS2 (1.00) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL12608963 0.83 PTGS1 (0.85) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11819076 0.82 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL11822617 0.82 PTGS1 (0.79) PTGS1PTGS2RAB9ANPC1KDM4E
Miroprofen SCHEMBL11832509 0.82 PTGS2 (0.97) PTGS1PTGS2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487856-B1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AG (DE) 2025-01-22 EP disclosed
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 US disclosed
US-10759794-B2 2-phenyl-3-(piperazinomethyl)imidazo[1,2-A]pyridine derivatives as blockers of task-1 and task-2 channels, for the treatment of sleep-related breathing disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-01 US disclosed
EP-3386979-B1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF THE TASK-1 AND TASK-2 CHANNELS FOR TREATING SLEEP-RELATED BREATHING DISORDERS Bayer Pharma AG (DE) 2020-07-29 EP disclosed
EP-3386979-B1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF THE TASK-1 AND TASK-2 CHANNELS FOR TREATING SLEEP-RELATED BREATHING DISORDERS Bayer Pharma AG (DE) 2020-07-29 EP disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
US-10414765-B2 Substituted perhydropyrrolo[3,4-c]pyrrole derivatives and the use of same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-17 US disclosed
EP-3487856-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE Bayer Aktiengesellschaft (DE) 2019-05-29 EP disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 2008-11-06 US disclosed
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 2008-11-06 US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 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 (7 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 PTGS1 7/4885PTGS2 12/4885RAB9A 4328/4885
US-20080275010-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NOS2, NOS3, MB PTGS1 5/4885PTGS2 6/4885RAB9A 3778/4885
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 PTGS1 1233/4885PTGS2 3264/4885RAB9A 4077/4885
US-20210024545-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE HYOU1, DDAH1, VDAC3 PTGS1 1397/4885PTGS2 3344/4885RAB9A 4593/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 PTGS1 1144/4885PTGS2 3163/4885RAB9A 4140/4885
US-10414765-B2 Substituted perhydropyrrolo[3,4-c]pyrrole derivatives and the use of same PAH, EGLN3, HYOU1 PTGS1 68/4885PTGS2 193/4885RAB9A 4337/4885
US-10759794-B2 2-phenyl-3-(piperazinomethyl)imidazo[1,2-A]pyridine derivatives as blockers of task-1 and task-2 channels, for the treatment of sleep-related breathing disorders TRPV2, CACNA1G, KCNJ2 PTGS1 954/4885PTGS2 775/4885RAB9A 4129/4885

“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.