SCHEMBL3224174

SCHEMBL3224174

O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
AKR1C1 Q04828 1/20 0.55
MAPT P10636 1/20 0.55
HTR1E P28566 1/20 0.55
S1PR3 Q99500 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 1/20 0.44
CES1 P23141 2/20 0.44

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
SCHEMBL3900070 0.97 AKR1C1 (0.59) NPSR1AKR1C1MAPTHTR1ES1PR3
SCHEMBL1769201 0.93 NPSR1 (0.50) NPSR1AKR1C1MAPTHTR1ES1PR3
SCHEMBL3904809 0.85 L3MBTL1 (0.64) NPSR1AKR1C1MAPTHTR1ES1PR3
SCHEMBL17109512 0.85 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL5369238 0.85 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL2815457 0.81 NPSR1 (0.57) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL5372386 0.81 NPSR1 (0.57) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL6676255 0.81 AKR1C1 (0.53) NPSR1AKR1C1MAPTMEN1KMT2A
SCHEMBL3227451 0.81 MEN1 (0.58) NPSR1MAPTHTR1ES1PR3MEN1
SCHEMBL3909752 0.81 ALDH1A1 (0.55) NPSR1MAPTHTR1ES1PR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN claimed
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-11208407-B2 Substituted phenyl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US disclosed
EP-3694502-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-20200216443-A1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 US disclosed
EP-3661909-A1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-06-10 EP disclosed
WO-2019074747-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
EP-1276748-B1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS SANKYO LIFETECH COMPANY LTD (JP) 2006-01-11 EP disclosed
US-6653342-B2 Acaricidal, insecticidal and anthelmintic activity on plants and animals; such as 13-(1-(4-aminophenyl)cyclopentane-carbonyloxy)-5-hydroxymilbemycin A4 SANKYO COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030139601-A1 13-substituted milbemycin derivatives, their preparation and their use against insects and other pests SANKYO COMPANY, LIMITED (JP) 2003-07-24 US disclosed
EP-1276748-A1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed
WO-2001083500-A1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS SANKYO COMPANY, LIMITED (JP) 2001-11-08 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN 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-20200216443-A1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU NPSR1 1224/4885AKR1C1 1194/4885MAPT 1295/4885
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU NPSR1 1280/4885AKR1C1 1340/4885MAPT 1235/4885
US-20030139601-A1 13-substituted milbemycin derivatives, their preparation and their use against insects and other pests MRM1, CYCS, RPS27 NPSR1 3879/4885AKR1C1 1193/4885MAPT 4683/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU NPSR1 1282/4885AKR1C1 1122/4885MAPT 1513/4885
US-11208407-B2 Substituted phenyl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT NPSR1 1126/4885AKR1C1 1358/4885MAPT 865/4885

“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.