SCHEMBL3416899

SCHEMBL3416899

O=[N+]([O-])C1NCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
DRD1 P21728 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
Bromide SCHEMBL10516995 0.98 CYP2D6 (0.36) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL3824370 0.84 PRCP (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8327028 0.80 RAB9A (0.36) CYP2D6CYP3A4MEN1KMT2AALDH1A1
SCHEMBL359802 0.71 MAPK1 (0.42) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL28454918 0.68 HTR2A (0.48) DRD2DRD4
SCHEMBL359803 0.67 CHRNB2 (0.44) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL2275751 0.67 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL14395237 0.67 CHRNB2 (0.44) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL7257552 0.67 CYP2D6 (0.41) CYP2D6CYP3A4MEN1KMT2ATP53
SCHEMBL6702423 0.67 PNMT (0.42) CYP2D6CYP3A4MEN1KMT2ATP53

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950676-B1 PREPARATION METHOD FOR AMIDE COMPOUNDS AND APPLICATION THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2026-04-08 EP disclosed
US-12595267-B2 Preparation method for amide compound and application thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2026-04-07 US disclosed
CN-113631541-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-10-01 CN disclosed
EP-4291555-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-12-20 EP disclosed
US-20220098178-A1 Preparation Method for Amide Compound and Application Thereof in Field of Medicine ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2022-03-31 US disclosed
EP-3950676-A1 PREPARATION METHOD FOR AMIDE COMPOUND AND APPLICATION THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2022-02-09 EP disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
CN-102617567-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2012-08-01 CN disclosed
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US disclosed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 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 (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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A CYP2D6 1962/4885CYP3A4 720/4885MEN1 3832/4885
US-12595267-B2 Preparation method for amide compound and application thereof in field of medicine EZH2, BMI1, EHMT1 CYP2D6 3116/4885CYP3A4 3449/4885MEN1 355/4885
US-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 CYP2D6 375/4885CYP3A4 693/4885MEN1 3503/4885
US-20220098178-A1 Preparation Method for Amide Compound and Application Thereof in Field of Medicine EZH2, EZH1, IKZF2 CYP2D6 3923/4885CYP3A4 4127/4885MEN1 677/4885
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 CYP2D6 1879/4885CYP3A4 3209/4885MEN1 3561/4885

“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.