SCHEMBL3833508

SCHEMBL3833508

Sc1nc(-c2ccncc2)cs1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
AR P10275 3/20 0.52
KMT2A Q03164 2/20 0.52
CYP19A1 P11511 2/20 0.50
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
LMNA P02545 4/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MAPT P10636 5/20 0.44
VCP P55072 1/20 0.44
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
CLK1 P49759 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1810828 0.98 KDM4E (0.53) KDM4EARKMT2ACYP19A1RAB9A
Bromide SCHEMBL3837111 0.96 KDM4E (0.52) KDM4EARKMT2ACYP19A1RAB9A
SCHEMBL178051 0.81 ALDH1A1 (0.61) KDM4EARKMT2ARAB9ASMN1; SMN2
SCHEMBL9361283 0.78 LTA4H (0.63) KDM4EKMT2ACYP19A1RAB9ASMN1; SMN2
SCHEMBL3185335 0.78 RAB9A (0.56) KDM4EKMT2ACYP19A1RAB9ASMN1; SMN2
SCHEMBL6174249 0.78 RAB9A (0.61) KDM4EKMT2ACYP19A1RAB9ASMN1; SMN2
SCHEMBL1807468 0.77 CYP19A1 (0.67) KDM4EKMT2ACYP19A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL14764903 0.77 PABPC1 (0.46) KDM4EARKMT2ACYP19A1RAB9A
SCHEMBL4183399 0.77 LTA4H (0.56) KDM4EARKMT2ARAB9AMAPT
SCHEMBL1984060 0.75 PABPC1 (0.42) KDM4EKMT2ARAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725425-A Preparation method for ceftaroline fosamil SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-06-24 CN claimed
WO-2016128580-A1 CEPHALOSPORIN INTERMEDIATE AND PROCESS FOR ITS PREPARATION FRESENIUS KABI ANTI-INFECTIVES SRL (IT) 2016-08-18 WO disclosed
CN-104725425-A Preparation method for ceftaroline fosamil SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-06-24 CN disclosed
CN-104725425-A Preparation method for ceftaroline fosamil SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2015-06-24 CN disclosed
EP-1310502-B1 PHOSPHONOCEPHEM COMPOUND TAKEDA PHARMACEUTICAL (JP) 2009-05-20 EP disclosed
EP-2020416-A1 Phosphonocephem compound Takeda Pharmaceutical Company Limited (JP) 2009-02-04 EP disclosed
US-7419973-B2 crystal of 3-[4-(1-methyl-4-pyridinio)-2-thiazolylthio]-7 beta -[2-(5-phosphonoamino-1,2,4-thiadiazol-3-yl)-2(Z)-ethoxyiminoacetamido]-3-cephem-4-carboxylate with acetic acid and water (Ceftaroline fosamil acetate solvate), crystals; MRSA infections; storage stability, high purity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-02 US disclosed
US-20050176697-A1 crystal of 3-[4-(1-methyl-4-pyridinio)-2-thiazolylthio]-7 beta -[2-(5-phosphonoamino-1,2,4-thiadiazol-3-yl)-2(Z)-ethoxyiminoacetamido]-3-cephem-4-carboxylate with acetic acid and water, crystals; anti-Methicillin Resistant Staphylococcus aureus agent; storage stability, high purity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-08-11 US disclosed
US-6906055-B2 Phosphonocephem compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-14 US disclosed
CN-1189471-C Phosphonocephem compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-16 CN disclosed
US-20040023943-A1 A cephem compound (particularly its crystal) represented by the formula (I), wherein X is CH3COOH, CH3CH2COOH or CH3CN, and n is 0 to 5, is useful as an antibacterial agent (particularly anti-MRSA agent) and shows superior quality such TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-05 US disclosed
CN-1462275-A Phosphonocephem compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-17 CN disclosed
EP-1310502-A1 PHOSPHONOCEPHEM COMPOUND Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP 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-20050176697-A1 crystal of 3-[4-(1-methyl-4-pyridinio)-2-thiazolylthio]-7 beta -[2-(5-phosphonoamino-1,2,4-thiadiazol-3-yl)-2(Z)-ethoxyiminoacetamido]-3-cephem-4-carboxylate with acetic acid and water, crystals; anti-Methicillin Resistant Staphylococcus aureus agent; storage stability, high purity CHAMP1, ACP1, SFN KDM4E 797/4885AR 2170/4885KMT2A 1203/4885
US-20040023943-A1 A cephem compound (particularly its crystal) represented by the formula (I), wherein X is CH3COOH, CH3CH2COOH or CH3CN, and n is 0 to 5, is useful as an antibacterial agent (particularly anti-MRSA agent) and shows superior quality such CEP170, CORO1C, CALCOCO2 KDM4E 1562/4885AR 3705/4885KMT2A 2293/4885

“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.