SCHEMBL1765841

SCHEMBL1765841

OCc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL8481796 0.83 CYP11B1 (0.40) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL9239487 0.82 CYP11B1 (0.37) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL6613495 0.82 HDAC3 (0.40) CYP11B1CYP11B2HDAC3HDAC6CYP2C19
SCHEMBL28067941 0.81 CYP11B1 (0.42) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL27089283 0.81 SMN1; SMN2 (0.36) CYP11B1CYP11B2HDAC3HDAC6MEN1
SCHEMBL17009956 0.81 HDAC3 (0.36) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL25307807 0.80 CYP11B1 (0.38) CYP11B1CYP11B2HDAC3HDAC6NR1I2
SCHEMBL27579878 0.80 CYP11B1 (0.38) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL9234834 0.80 HDAC3 (0.37) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL3516047 0.80 CYP11B1 (0.41) CYP11B1CYP11B2HDAC3HDAC6ALOX15

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190317040-A1 DEVICES AND METHODS FOR TARGET MOLECULE CHARACTERIZATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-17 US disclosed
US-10442771-B2 Trans-base tunnel reader for sequencing ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-15 US disclosed
US-10330632-B2 Devices and methods for target molecule characterization ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-06-25 US disclosed
US-20170204066-A1 NANOPORE BASED SEQUENCER ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2017-07-20 US disclosed
US-9593372-B2 Nanopore based sequencer ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-03-14 US disclosed
US-9395352-B2 Devices and methods for target molecule characterization ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-07-19 US disclosed
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 US disclosed
US-20150211059-A1 TRANS-BASE TUNNEL READER FOR SEQUENCING ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-07-30 US disclosed
US-8968540-B2 Trans-base tunnel reader for sequencing ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-03-03 US disclosed
US-8961757-B2 Nanopore and carbon nanotube based DNA sequencer ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-24 US disclosed
CN-1856475-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 EP disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 WO disclosed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 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-20170204066-A1 NANOPORE BASED SEQUENCER DNMT3A, DNTT, TELO2 CYP11B1 2318/4885CYP11B2 2092/4885HDAC3 4492/4885
US-10442771-B2 Trans-base tunnel reader for sequencing DNTT, TRDMT1, TELO2 CYP11B1 1094/4885CYP11B2 1175/4885HDAC3 3848/4885

“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.