SCHEMBL2227640

SCHEMBL2227640

O=[N+]([O-])c1cc(O)cc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 1.00
HSP90AB1 P08238 2/20 1.00
PDE10A Q9Y233 1/20 0.63
MAPT P10636 10/20 0.60
ALDH1A1 P00352 9/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
KDM4E B2RXH2 6/20 0.59
TDP1 Q9NUW8 6/20 0.59
HTT P42858 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
PKM P14618 4/20 0.59
RAB9A P51151 4/20 0.59
CASP6 P55212 3/20 0.59
NPC1 O15118 3/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
MEN1 O00255 10/20 0.56
KMT2A Q03164 10/20 0.56
CTSB P07858 2/20 0.56

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
SCHEMBL4329054 0.82 MAPT (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2476277 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2472343 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL3557626 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL6634465 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL5865341 0.80 HSP90AA1 (0.67) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL30278234 0.79 HSP90AA1 (0.65) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL8488388 0.79 HSP90AA1 (0.65) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL5442713 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL29984702 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 EP claimed
EP-4631573-A2 TEAD INHIBITORS Orion Corporation (FI) 2025-10-15 EP disclosed
EP-4323338-B1 TEAD INHIBITORS ORION CORP (FI) 2025-10-08 EP disclosed
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 US disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 WO disclosed
US-20130053333-A1 Aminoquinoline Derivatives CONCERT PHARMACEUTICALS, INC. 2013-02-28 US disclosed
US-20130053333-A1 Aminoquinoline Derivatives CONCERT PHARMACEUTICALS, INC. 2013-02-28 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
CN-1166636-C Arylpiperazinyl-cyclohexylindole derivatives for the treatment of depression 2004-09-15 CN disclosed
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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 (6 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT HSP90AA1 2976/4885HSP90AB1 2595/4885PDE10A 2569/4885
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 HSP90AA1 4554/4885HSP90AB1 4500/4885PDE10A 1849/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 HSP90AA1 2070/4885HSP90AB1 1900/4885PDE10A 3090/4885
US-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 HSP90AA1 2926/4885HSP90AB1 2681/4885PDE10A 1750/4885
US-20130053333-A1 Aminoquinoline Derivatives NQO2, QTRT2, RECQL HSP90AA1 3873/4885HSP90AB1 3839/4885PDE10A 2096/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 HSP90AA1 2256/4885HSP90AB1 1565/4885PDE10A 3484/4885

“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.