SCHEMBL921289

SCHEMBL921289

COc1ccc(Oc2cccc(CN)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
TAAR1 Q96RJ0 3/20 0.56
ST14 Q9Y5Y6 1/20 0.55
LTA4H P09960 1/20 0.53
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
AOC3 Q16853 1/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP1 Q9C000 1/20 0.46

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
Hydrochloric Acid SCHEMBL18641331 0.98 MAOB (0.62) MAOBSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL920587 0.91 MAOB (0.63) MAOBSMN1; SMN2ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL18641293 0.89 MAOB (0.64) MAOBSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL920447 0.87 ST14 (0.68) MAOBSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL29947713 0.87 TAAR1 (0.71) MAOBALDH1A1TAAR1IDO1AGXT
SCHEMBL42954 0.87 TAAR1 (0.71) MAOBALDH1A1TAAR1IDO1AGXT
SCHEMBL4949955 0.87 ST14 (0.58) MAOBSMN1; SMN2ALDH1A1TAAR1ST14
SCHEMBL920590 0.86 ST14 (0.55) MAOBSMN1; SMN2ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1275116 0.85 MAOB (0.72) MAOBALDH1A1TAAR1IDO1AGXT
Bromide SCHEMBL31513707 0.85 TAAR1 (0.69) MAOBALDH1A1TAAR1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-09-20 US disclosed
EP-3349581-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 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 (5 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 MAOB 463/4885SMN1; SMN2 4204/4885ALDH1A1 1903/4885
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS MAOB 3692/4885SMN1; SMN2 4557/4885ALDH1A1 4316/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS MAOB 3692/4885SMN1; SMN2 4557/4885ALDH1A1 4316/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 MAOB 1201/4885SMN1; SMN2 584/4885ALDH1A1 1651/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 MAOB 665/4885SMN1; SMN2 1594/4885ALDH1A1 2709/4885

“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.