SCHEMBL20158839

SCHEMBL20158839

Cc1nn(C(=O)c2ccccc2Br)c2c1c1cc(Br)ccc1n2C(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.42
MAPK8 P45983 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.36
PLAU P00749 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENPP3 O14638 1/20 0.35
ALPL P05186 1/20 0.35
XIAP P98170 1/20 0.35
PRNP P04156 1/20 0.35
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL24200422 0.89 MAPK8 (0.51) ELANEMAPK8ALDH1A1CNR2PRNP
SCHEMBL20158843 0.87 ELANE (0.43) ELANEALDH1A1CNR2MEN1KMT2A
SCHEMBL20138825 0.84 ELANE (0.54) ELANEMAPK8PLAUMEN1KMT2A
SCHEMBL20138831 0.77 CNR1 (0.43) ELANEALDH1A1CNR2MEN1KMT2A
SCHEMBL20139087 0.76 ELANE (0.53) ELANEMAPK8ALDH1A1
SCHEMBL24200445 0.75 MAPK8 (0.53) ELANEMAPK8ALDH1A1PLAUPRNP
SCHEMBL20158841 0.69 ELANE (0.56) ELANEMEN1KMT2ACYP1A2CYP2C9
SCHEMBL7059986 0.69 CNR2 (0.39) ELANEALDH1A1CNR2
SCHEMBL20135899 0.69 ELANE (0.51) ELANEALDH1A1PLAUMEN1KMT2A
SCHEMBL6823561 0.68 MEN1 (0.42) ELANEALDH1A1CNR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 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-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE ELANE 3681/4885MAPK8 377/4885ALDH1A1 3837/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE ELANE 3684/4885MAPK8 282/4885ALDH1A1 3972/4885

“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.