SCHEMBL20158833

SCHEMBL20158833

COc1ccc2c(c1)c1cc[nH]c(=O)c1n2C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
HIF1A Q16665 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
AKR1C3 P42330 7/20 0.53
PTGS2 P35354 3/20 0.52
PTGS1 P23219 2/20 0.52
PLA2G2A P14555 1/20 0.52
AKR1C2 P52895 5/20 0.47
ELANE P08246 1/20 0.44
PPARG P37231 4/20 0.43
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PTGES O14684 1/20 0.43
ABCC3 O15438 1/20 0.43

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
SCHEMBL24200394 0.77 BCHE (0.59) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL20158842 0.76 LMNA (0.53) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL24200423 0.76 LMNA (0.55) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL20135910 0.72 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL20139098 0.71 LMNA (0.55) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL20158976 0.71 LMNA (0.52) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL12949361 0.71 LMNA (0.80) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL1082631 0.70 HIF1A (1.00) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL8579955 0.70 LMNA (0.65) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11845690 0.70 HTR6 (0.79) LMNACYP1A2CYP2D6CYP2C9HIF1A

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 8 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
CN-109963850-A The selective depressant of genotoxicity stress-induced IKK/NF- kB pathway 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2019-07-02 CN 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 LMNA 3293/4885CYP1A2 2025/4885CYP2D6 2638/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE LMNA 3264/4885CYP1A2 2107/4885CYP2D6 2644/4885

“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.