SCHEMBL2216252

SCHEMBL2216252

c1ccc(Cn2c3ccccc3c3ccncc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.70
HDAC2 Q92769 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
P2RX4 Q99571 1/20 0.57
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
ACHE P22303 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.51
DYRK1A Q13627 1/20 0.51
MCL1 Q07820 1/20 0.51
GUSB P08236 1/20 0.50
HDAC3 O15379 1/20 0.49

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
SCHEMBL27917544 0.88 HDAC2 (0.57) CYP19A1HDAC2HDAC6MAOAMAOB
SCHEMBL27899796 0.87 MEN1 (0.58) CYP19A1HDAC2HDAC6KDM4ECYP1A2
SCHEMBL25382673 0.84 HDAC6 (0.57) CYP19A1HDAC2HDAC6MAOAMAOB
SCHEMBL27350940 0.84 HDAC2 (0.57) CYP19A1HDAC2HDAC6P2RX4MAOA
SCHEMBL21396929 0.84 CYP19A1 (0.70) CYP19A1HDAC6P2RX4MAOAMAOB
SCHEMBL30007452 0.84 CYP19A1 (1.00) CYP19A1HDAC6P2RX4KDM4ECYP1A2
SCHEMBL151053 0.84 CYP19A1 (1.00) CYP19A1HDAC6P2RX4KDM4ECYP1A2
SCHEMBL17517483 0.82 MAOA (0.67) CYP19A1HDAC2HDAC6MAOAMAOB
SCHEMBL17517482 0.82 CYP1A2 (0.65) CYP19A1HDAC2HDAC6MAOAMAOB
SCHEMBL9398256 0.82 CYP19A1 (0.95) CYP19A1HDAC6P2RX4KDM4ECYP1A2

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 28 patents — showing the first 20. 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
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP 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
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
US-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US disclosed
US-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US disclosed
EP-2125812-B1 USE OF ß-CARBOLINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX LTD (DE) 2012-10-31 EP disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
WO-2011079841-A1 BETA-CARBOLINES FOR USE IN THE TREATMENT OF HEARING LOSS AND VERTIGO ROMMELSPACHER HANS (DE) 2011-07-07 WO disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
WO-2008104161-A1 ß-CARBOLINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX LTD. (DE) 2008-09-04 WO disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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 (4 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 CYP19A1 1247/4885HDAC2 2405/4885HDAC6 2543/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE CYP19A1 1459/4885HDAC2 2499/4885HDAC6 2682/4885
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, SNCA, CHAT CYP19A1 2163/4885HDAC2 2589/4885HDAC6 1133/4885
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 CYP19A1 445/4885HDAC2 1795/4885HDAC6 3247/4885

“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.