SCHEMBL459719

SCHEMBL459719

Nc1cc(Br)ccc1NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.35
HCAR3 P49019 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CHEK1 O14757 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34

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
SCHEMBL29502212 1.00 AAK1 (0.48) AAK1KDM4EGAAMAPTALOX15
SCHEMBL17678063 0.93 MAPT (0.51) AAK1KDM4EGAAMAPTALOX15
SCHEMBL2946261 0.93 MAPT (0.56) AAK1KDM4EGAAMAPTALOX15
SCHEMBL20096321 0.92 AAK1 (0.46) AAK1KDM4EGAAMAPTALOX15
SCHEMBL29741328 0.92 AAK1 (0.46) AAK1KDM4EGAAMAPTALOX15
SCHEMBL21293969 0.92 AAK1 (0.46) AAK1KDM4EGAAMAPTALOX15
SCHEMBL20096170 0.92 AAK1 (0.48) AAK1KDM4EGAAMAPTALOX15
SCHEMBL20094079 0.92 AAK1 (0.46) AAK1KDM4EGAAMAPTALOX15
SCHEMBL23176976 0.91 MAPT (0.59) AAK1KDM4EGAAMAPTALOX15
SCHEMBL2687892 0.88 AAK1 (0.44) AAK1KDM4EGAAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630516-B2 Compounds NRG THERAPEUTICS LTD. (GB) 2026-05-19 US disclosed
EP-4208442-B1 MPTP INHIBITORS NRG THERAPEUTICS LTD (GB) 2025-10-22 EP disclosed
US-20250179028-A1 ACRYLAMIDE COMPOUNDS NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
EP-4486721-A1 ACRYLAMIDE COMPOUNDS NRG Therapeutics LTD (GB) 2025-01-08 EP disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
WO-2023166303-A1 ACRYLAMIDE COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-09-07 WO disclosed
EP-4208442-A1 NOVEL COMPOUNDS NRG Therapeutics LTD (GB) 2023-07-12 EP disclosed
WO-2022049376-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2022-03-10 WO disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 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 (4 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-12630516-B2 Compounds CYP4B1, CYP1B1, NR4A1 AAK1 2131/4885KDM4E 1335/4885GAA 3709/4885
US-20240067614-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, CXCR2 AAK1 4442/4885KDM4E 3657/4885GAA 1046/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 AAK1 3638/4885KDM4E 3788/4885GAA 2/4885
US-20250179028-A1 ACRYLAMIDE COMPOUNDS ACR, CCNI, FANCI AAK1 1225/4885KDM4E 4743/4885GAA 3213/4885

“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.