SCHEMBL3674913

SCHEMBL3674913

[c]1nscc1-c1ccon1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL3082762 0.68 NPC1 (0.42) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL222947 0.68
SCHEMBL223116 0.68 CYP1A2 (0.32) KDM4ENPC1RAB9ACYP1A2CYP2D6
SCHEMBL1348008 0.67 KDM4E (0.33) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL6050750 0.65 KMT2A (0.39) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL4452760 0.65 CYP1A2 (0.33) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL4794205 0.65 CYP1A2 (0.30) NPC1RAB9ACYP1A2CYP2D6CYP19A1
SCHEMBL5930335 0.65 KDM4E (0.33) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL3759300 0.65 MDM2 (0.31) KDM4ENPC1RAB9AMAPTCYP1A2
SCHEMBL1932823 0.64 GOT1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082823-B1 IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-04-22 EP claimed
US-20170037056-A1 Iminothiadiazepane Dioxide Compounds as BACE Inhibitors, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2017-02-09 US claimed
EP-3082823-A1 IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2016-10-26 EP claimed
WO-2015095104-A1 IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO claimed
EP-1963312-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-03 EP claimed
WO-2007061930-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO claimed
JP-2007506696-A 2007-03-22 JP claimed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US claimed
EP-1667980-A1 1,4-DISUBSTITUTED ISOQUINOLINE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2006-06-14 EP claimed
WO-2005028444-A1 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2005-03-31 WO claimed
EP-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP claimed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO claimed
EP-3889158-B1 FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS SUBSTITUTED WITH GUANIDINO GROUPS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-03 EP disclosed
EP-3082823-B1 IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
US-9845482-B2 Compositions and methods for enhancing bioenergetic status in female germ cells THE GENERAL HOSPITAL CORPORATION (US) 2017-12-19 US disclosed
US-20170037056-A1 Iminothiadiazepane Dioxide Compounds as BACE Inhibitors, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
EP-0991628-B1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2005-01-12 EP disclosed
WO-2004090545-A2 METHODS FOR TREATING PROLIFERATIVE DISEASES AND FOR MONITORING THE EFFECTIVENESS OF TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2004-10-21 WO disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
EP-0217142-A2 A polyazaheterocyclic compound Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-08 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 (2 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-20170037056-A1 Iminothiadiazepane Dioxide Compounds as BACE Inhibitors, Compositions, and Their Use BACE1, PSEN1, BACE2 KDM4E 2863/4885NPC1 731/4885RAB9A 1148/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS KDM4E 1491/4885NPC1 1468/4885RAB9A 598/4885

“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.