SCHEMBL4257039

SCHEMBL4257039

C(=NC1CCCCC1N=Cc1ccccn1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAOA P21397 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
GFER P55789 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.42
G6PC1 P35575 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL5851382 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL29774561 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL5852681 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL4257034 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL13276251 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL14114325 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
SCHEMBL18934346 1.00 NR4A1 (0.50) NR4A1ALDH1A1MAOAPKML3MBTL1
Hydrochloric Acid SCHEMBL5851607 0.98 NR4A1 (0.49) NR4A1ALDH1A1MAOAPKML3MBTL1
Hydrochloric Acid SCHEMBL5851417 0.98 NR4A1 (0.49) NR4A1ALDH1A1MAOAPKML3MBTL1
Bromide SCHEMBL5923769 0.97 NR4A1 (0.47) NR4A1ALDH1A1MAOAPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-20260137083-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 US disclosed
US-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-03-03 US disclosed
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-02-17 US disclosed
US-12543738-B2 3-(pyridazin-4-yl)-5,6-dihydro-4H-1,2,4-oxadiazine derivatives as fungicides for crop protection BAYER AKTIENGESELLSCHAFT (DE) 2026-02-10 US disclosed
EP-4149929-B1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AG (DE) 2026-01-28 EP disclosed
US-12520844-B2 Triazine and pyrimidine (thio)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2026-01-13 US disclosed
US-12501900-B2 Heterocyclyl pyridazine as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds BAYER AKTIENGESELLSCHAFT (DE) 2025-09-16 US disclosed
EP-3887362-B1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AG (DE) 2025-06-18 EP disclosed
WO-2017072283-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 WO disclosed
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (7 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-12414565-B2 Pyridazine (THIO)amides as fungicidal compounds PNPO, TPMT, BLVRB NR4A1 117/4885ALDH1A1 2326/4885MAOA 1296/4885
US-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides CBR1, CBR3, NOX1 NR4A1 44/4885ALDH1A1 1422/4885MAOA 751/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 NR4A1 76/4885ALDH1A1 846/4885MAOA 3185/4885
US-12543738-B2 3-(pyridazin-4-yl)-5,6-dihydro-4H-1,2,4-oxadiazine derivatives as fungicides for crop protection CYP4Z1, HPD, CYP4B1 NR4A1 361/4885ALDH1A1 494/4885MAOA 1516/4885
US-12501900-B2 Heterocyclyl pyridazine as fungicidal compounds PNPO, PDXK, BLVRB NR4A1 3751/4885ALDH1A1 2480/4885MAOA 497/4885
US-20260137083-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS CBR1, CBR3, CYC1 NR4A1 89/4885ALDH1A1 838/4885MAOA 451/4885
US-12552748-B2 Pyridine (thio)amides as fungicidal compounds CBR1, CBR3, TH NR4A1 454/4885ALDH1A1 760/4885MAOA 2393/4885

“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.