SCHEMBL7422703

SCHEMBL7422703

CC1(C)Cc2cc(Br)ccc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
TDP2 O95551 1/20 0.41
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
AKR1B1 P15121 1/20 0.37
PGR P06401 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL14828445 0.84 CYP3A4 (0.46) BRD4GAAPKMMEN1KMT2A
SCHEMBL3594231 0.81 CA9 (0.41) BRD4LMNAGAAL3MBTL1MEN1
SCHEMBL17026793 0.81 AHR (0.54) CMA1AHRTGM2CES1GAA
SCHEMBL3594228 0.81 BRD4 (0.35) BRD4AHRPGRPOLBCYP3A4
SCHEMBL650500 0.79 BRD4 (0.48) BRD4CMA1AHRTDP2TGM2
SCHEMBL31430265 0.79 BRD4 (0.50) BRD4CMA1AHRTDP2TGM2
SCHEMBL31398252 0.79 BRD4 (0.46) BRD4CMA1AHRTDP2TGM2
SCHEMBL31398246 0.79 BRD4 (0.46) BRD4CMA1AHRTDP2TGM2
SCHEMBL17027073 0.78 KIF11 (0.43) BRD4AHRL3MBTL1MEN1KMT2A
SCHEMBL6491515 0.78 ALDH1A1 (0.34) BRD4AHRGAAALDH1A1KDM4E

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
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 WO disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 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 (2 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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A BRD4 1860/4885CMA1 4570/4885AHR 2327/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 BRD4 684/4885CMA1 1866/4885AHR 509/4885

“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.