SCHEMBL3457652

SCHEMBL3457652

CCN1C=CN(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ELANE P08246 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 2/20 0.39
FUCA1 P04066 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1044027 0.89 SIGMAR1 (0.52) SIGMAR1ELANEF2PLGCTSG
Hydrochloric Acid SCHEMBL9343069 0.87 SIGMAR1 (0.50) SIGMAR1ELANEF2PLGCTSG
Bromide SCHEMBL1046639 0.87 SIGMAR1 (0.50) SIGMAR1ELANEF2PLGCTSG
Glycine SCHEMBL29046435 0.87 KMT2A (0.41) ELANEF2PLGCTSGCMA1
Benzophenone SCHEMBL29157563 0.87 ALDH1A1 (0.44) ELANEALDH1A1ACHEKDM4ESMN1; SMN2
SCHEMBL5295885 0.85 MEN1 (0.44) SIGMAR1ELANEF2PLGCTSG
SCHEMBL25804057 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATHRBLMNA
SCHEMBL2215754 0.82 LMNA (0.61) SIGMAR1ALDH1A1MEN1KMT2ATHRB
Acetic Acid SCHEMBL28332665 0.82 CYP2D6 (0.49) ELANEF2PLGCTSGCMA1
SCHEMBL5304280 0.82 ALDH1A1 (0.47) SIGMAR1ALDH1A1MC4RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 US disclosed
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 CN disclosed
CN-116375784-A Method for separating hyodeoxycholic acid and chenodeoxycholic acid 浙江大学 2023-07-04 CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 US disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 EP disclosed
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 CN disclosed
CN-102060775-A Preparation method of imidazole ion liquid UNIV ZHEJIANG NORMAL 2011-05-18 CN disclosed
US-20100321863-A1 ACTIVATED CARBON AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-7785495-B2 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-31 US disclosed
CN-101535179-A Activated carbon and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-09-16 CN disclosed
EP-2093191-A1 ACTIVATED CARBON AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-08-26 EP disclosed
US-20090103241-A1 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-23 US disclosed
CN-101184691-A Electric double layer capacitor SUMITOMO CHEMICAL CO (JP) 2008-05-21 CN disclosed
EP-1905740-A1 ELECTRIC DOUBLE LAYER CAPACITOR Sumitomo Chemical Company, Limited (JP) 2008-04-02 EP disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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 (3 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-20090103241-A1 Activated carbon prepared by carbonizing and activating a calixarene containing dihydroxybenzene rings; especially calcining at 400 degrees C. or less in the presence of an oxidative gas, calcining at 1500 degrees or less in an inactive gas, and then further calcining at 200-1500 degrees in H2O or CO2 CBR1, CYP24A1, CALU SIGMAR1 689/4885ELANE 306/4885F2 808/4885
US-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM SIGMAR1 2319/4885ELANE 1974/4885F2 334/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM SIGMAR1 2319/4885ELANE 1974/4885F2 334/4885

“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.