SCHEMBL4599422

SCHEMBL4599422

Nc1c(C(=O)O)cnn1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 2/20 0.36
CYP1A2 P05177 1/20 0.36
RIPK2 O43353 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
THRB P10828 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL5424757 0.98 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ENPC1LMNA
SCHEMBL5499546 0.86 TSHR (0.56) ALDH1A1TSHRNPC1LMNASMN1; SMN2
SCHEMBL13126456 0.84 TSHR (0.41) ALDH1A1TSHRKDM4ENPC1LMNA
SCHEMBL28036519 0.81 MAPK14 (0.46) ALDH1A1NPC1LMNAGABRPGABRD
SCHEMBL27758253 0.80 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ENPC1LMNA
SCHEMBL7811465 0.80 MAPK14 (0.43) MAPK14
SCHEMBL2806923 0.80 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ENPC1LMNA
SCHEMBL6052434 0.79 KDM4E (0.41) ALDH1A1TSHRKDM4ELMNASMN1; SMN2
SCHEMBL27737639 0.78 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ENPC1LMNA
SCHEMBL7105351 0.78 NPC1 (0.64) ALDH1A1TSHRKDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN claimed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN disclosed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 CN disclosed
EP-2628730-B1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS NOXELL CORP (US) 2017-12-06 EP disclosed
CN-105294564-A Synthetic method of 5-amino-1-(2-hydroxyethyl)pyrazole SHANDONG BOYUAN PHARMACEUTICAL CO LTD 2016-02-03 CN disclosed
CN-104105689-A Synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt by telescoping PROCTER & GAMBLE 2014-10-15 CN disclosed
US-8785656-B2 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt THE PROCTER & GAMBLE COMPANY (US) 2014-07-22 US disclosed
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
EP-2628730-A1 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts The Procter and Gamble Company (US) 2013-08-21 EP disclosed
CN-101287710-A Preparation of 4, 5-diamino-1- (substituted) pyrazoles and their acid addition salts EASTMAN CHEM CO (US) 2008-10-15 CN disclosed
EP-1912950-A2 PREPARATION OF 4,5-DIAMINO-1-(SUBSTITUTED)-PYRAZOLE AND ACID ADDITION SALTS THEREOF EASTMAN CHEMICAL COMPANY (US) 2008-04-23 EP disclosed
WO-2007021873-A2 PREPARATION OF 4,5-DIAMINO-1-(SUBSTITUTED)-PYRAZOLE AND ACID ADDITION SALTS THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-02-22 WO disclosed
WO-2007021873-A2 PREPARATION OF 4,5-DIAMINO-1-(SUBSTITUTED)-PYRAZOLE AND ACID ADDITION SALTS THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-02-22 WO disclosed
US-20070037987-A1 Preparation of 4,5-diamino-1-(substituted)-pyrazole and acid addition salts thereof EASTMAN CHEMICAL COMPANY 2007-02-15 US disclosed
US-20070037987-A1 Preparation of 4,5-diamino-1-(substituted)-pyrazole and acid addition salts thereof EASTMAN CHEMICAL COMPANY 2007-02-15 US disclosed
US-20070037987-A1 Preparation of 4,5-diamino-1-(substituted)-pyrazole and acid addition salts thereof EASTMAN CHEMICAL COMPANY 2007-02-15 US disclosed
EP-1342716-A2 Preparation of 4,5-diamino-1-(2'-hydroxyethyl)-pyradazole and acid addition salts thereof EASTMAN CHEMICAL COMPANY (US) 2003-09-10 EP disclosed
US-6452019-B1 SIMPLIFIED PROCESS THAT DOES NOT INVOLVE TOXIC SOLVENTS NOR MULTIPLE ISOLATIONS OF INTERMEDIATE PRODUCTS; CYCLIZATION OF ALKYL(ETHOXYMETHYLENE)CYANOACETATE AND 2-HYDROXY-ETHYL-HYDRAZINE; DECARBOXYLATING; NITROSATION TO AMINATE EASTMAN CHEMICAL COMPANY 2002-09-17 US disclosed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 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 (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-20070037987-A1 Preparation of 4,5-diamino-1-(substituted)-pyrazole and acid addition salts thereof DDC, DAO, IL4I1 ALDH1A1 154/4885TSHR 4160/4885KDM4E 1165/4885
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt NOX5, PPOX, PAOX ALDH1A1 1135/4885TSHR 1296/4885KDM4E 3878/4885

“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.