SCHEMBL794170

SCHEMBL794170

CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 2/20 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
SCHEMBL134505 1.00 SIRT2 (0.44) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3891843 0.98 SIRT2 (0.44) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL23045026 0.95 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5334264 0.94 SIRT2 (0.45) SIRT2HDAC3HDAC4HDAC1HDAC7
Phosphoric Acid SCHEMBL28738409 0.93 SIRT2 (0.43) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29544944 0.90 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL118552 0.90 SIRT2 (0.49) SIRT2HDAC3HDAC4HDAC1HDAC7
Phosphoric Acid SCHEMBL28738408 0.89 SIRT2 (0.44) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL333397 0.89 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL5514450 0.89 SIRT2 (0.48) SIRT2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616466-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE Medichem, S.A. (ES) 2013-07-24 EP claimed
WO-2012035057-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE MEDICHEM S.A. (ES) 2012-03-22 WO claimed
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
CN-110891612-A Conjugates of protein drugs and P/A peptides XL-蛋白有限责任公司 2020-03-17 CN disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-20130253187-A1 Process for Determining the Suitability for Distribution of a Batch of Thiophene-2-Carboxamide Derivative MEDICHEM, S.A. (ES) 2013-09-26 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 EP disclosed
US-20070129310-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2007-06-07 US disclosed
US-20060089363-A1 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2006-04-27 US disclosed
EP-0443598-B1 Peptides inhibiting the blood coagulation, their process of preparation and their use BEHRINGWERKE AG (DE) 1995-05-17 EP disclosed
EP-0443598-A2 Peptides inhibiting the blood coagulation, their process of preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1991-08-28 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 (8 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-20060089363-A1 Antibacterial agents ARG1, ALK, ROS1 SIRT2 3135/4885HDAC3 1267/4885HDAC4 3548/4885
US-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 SIRT2 2449/4885HDAC3 1843/4885HDAC4 1504/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 SIRT2 2465/4885HDAC3 1946/4885HDAC4 1544/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 SIRT2 2465/4885HDAC3 1946/4885HDAC4 1544/4885
US-20130253187-A1 Process for Determining the Suitability for Distribution of a Batch of Thiophene-2-Carboxamide Derivative CYP2C9, CYP3A5, CYP3A43 SIRT2 546/4885HDAC3 1585/4885HDAC4 3662/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 SIRT2 2449/4885HDAC3 1843/4885HDAC4 1504/4885
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE DHPS, CYP3A5, ALKBH5 SIRT2 2760/4885HDAC3 2033/4885HDAC4 3335/4885
US-20070129310-A1 Antibacterial agents ARG1, SCO2, SPOUT1 SIRT2 2897/4885HDAC3 2312/4885HDAC4 4031/4885

“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.