SCHEMBL20147160

SCHEMBL20147160

CN(C)Cc1cc2c(cc1Br)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
PABPC1 P11940 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR7 P34969 2/20 0.37
HTR3E A5X5Y0 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
SCHEMBL8433655 0.78 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL10416171 0.77 GAA (0.63) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL1520657 0.75 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29961170 0.74 CYP3A4 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL281746 0.74 CYP3A4 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL11182069 0.74 CYP3A4 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL27654034 0.74 CYP3A4 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL1751672 0.73 AHR (0.53) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30360689 0.71 CYP3A4 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL25907658 0.71 TAAR1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MEN1

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 4 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
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
EP-3321264-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2018-05-16 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 (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 CYP1A2 2025/4885CYP3A4 1839/4885CYP2D6 2638/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE CYP1A2 2107/4885CYP3A4 1867/4885CYP2D6 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.