SCHEMBL6500461

SCHEMBL6500461

CN(C(=O)O)c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
P4HTM Q9NXG6 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 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
SCHEMBL5159200 0.81 KDM4E (0.38) KDM4EALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL30299648 0.80 ALDH1A1 (0.45) KDM4EALDH1A1ALOX15HSD17B10NAPRT
SCHEMBL25287013 0.78 KDM4E (0.44) KDM4EALDH1A1ALOX15HSD17B10TDP1
SCHEMBL3716794 0.78 ALDH1A1 (0.44) KDM4EALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL243741 0.76 POLB (0.51) KDM4EALDH1A1HSD17B10NAPRTKMT2A
SCHEMBL14507079 0.76 KMT2A (0.58) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL3136168 0.76 HSD17B10 (0.40) KDM4EALDH1A1ALOX15HSD17B10LMNA
SCHEMBL5356922 0.75 KDM4E (0.47) KDM4EALDH1A1ALOX15KMT2AL3MBTL1
SCHEMBL23804548 0.75 CYP3A4 (0.40) ALDH1A1L3MBTL1LMNATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL11804810 0.74 POLB (0.50) KDM4EALDH1A1HSD17B10NAPRTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790546-A1 THE USE OF NON-STEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ALONE OR IN COMBINATION FOR THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES Bayer Aktiengesellschaft (DE) 2021-03-17 EP claimed
WO-2019215317-A1 THE USE OF NON-STEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ALONE OR IN COMBINATION FOR THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2019-11-14 WO claimed
EP-0085476-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-22 EP claimed
EP-3389664-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF Raze Therapeutics Inc. (US) 2018-10-24 EP disclosed
WO-2018096550-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]-5-PYRIMIDINYL(METHYL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-31 WO disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US 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 (1 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 KDM4E 4034/4885ALDH1A1 3345/4885ALOX15 752/4885

“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.