SCHEMBL1722787

SCHEMBL1722787

[C]OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
AKR1C3 P42330 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.49
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 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
SCHEMBL293414 0.83 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL37463 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL4985766 0.80 TSHR (0.58) IDO1AKR1C3LOXL2TSHRCYP2C19
SCHEMBL23091915 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL21753899 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7769668 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL4016592 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL12417032 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12
SCHEMBL7829129 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995025514-A1 COMPOUNDS USEFUL AS ANXIOLYTIC, SEDATIVE, AND HYPNOTIC AGENTS DISCOVERY THERAPEUTICS, INC. (US) 1995-09-28 WO claimed
US-20240189486-A1 ANTIMICROBIAL CATIONIC PEPTOID AND N-SUBTITUTED PEPTIDIC COPOLYMERS, PREPARATION AND USES THEREOF UNIVERSITÉ DE BORDEAUX (FR) 2024-06-13 US disclosed
EP-4294821-A1 ANTIMICROBIAL CATIONIC PEPTOID AND N-SUBTITUTED PEPTIDIC COPOLYMERS, PREPARATION AND USES THEREOF UNIVERSITE DE BORDEAUX (FR) 2023-12-27 EP disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
EP-4047012-A1 ANTIMICROBIAL CATIONIC PEPTOID AND N-SUBTITUTED PEPTIDIC COPOLYMERS, PREPARATION AND USES THEREOF Université de Bordeaux (FR) 2022-08-24 EP disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-20220162183-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC 2022-05-26 US disclosed
US-11331369-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2022-05-17 US disclosed
EP-3790876-A1 ENDOPARASITIC DEPSIPEPTIDES Zoetis Services LLC (US) 2021-03-17 EP disclosed
WO-1999025752-A1 FUNCTIONALIZED RESIN FOR THE SYNTHESIS OF AMIDES AND PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-05-27 WO disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed
WO-1998017678-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-30 WO disclosed
WO-1998007696-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N-[N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-26 WO disclosed
EP-0297456-A2 Immunosuppressant peptides MERRELL DOW PHARMACEUTICALS INC. (US) 1989-01-04 EP disclosed
EP-0252885-A1 Bicyclic thiaaza compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0239853-A1 3,4-Disubstituted-2-azetidinone derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US 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-20220162183-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS HTR2B, HTR1B, HTR5A IDO1 1019/4885AKR1C3 3817/4885LOXL2 1063/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 IDO1 540/4885AKR1C3 1119/4885LOXL2 1984/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 IDO1 540/4885AKR1C3 1119/4885LOXL2 1984/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 IDO1 455/4885AKR1C3 918/4885LOXL2 1694/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 IDO1 540/4885AKR1C3 1119/4885LOXL2 1984/4885
US-20240189486-A1 ANTIMICROBIAL CATIONIC PEPTOID AND N-SUBTITUTED PEPTIDIC COPOLYMERS, PREPARATION AND USES THEREOF NGLY1, VIP, FPR3 IDO1 2757/4885AKR1C3 3859/4885LOXL2 4228/4885

“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.