SCHEMBL20157906

SCHEMBL20157906

CC[S+]([O-])Cc1ccc(C(=O)c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CHRNA7 P36544 2/20 0.35
THRB P10828 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR1 P21453 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20157516 0.83 ALDH1A1 (0.48) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL8007498 0.82 LMNA (0.43) HTTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL20157829 0.80 HTT (0.37) MAPTHTTSMN1; SMN2CHRNA7
SCHEMBL20157560 0.78 PTPN1 (0.43) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL21362538 0.78 SRD5A2 (0.39) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL20157904 0.78 CXCR2 (0.35) MAPTLMNAALDH1A1GAACHRNA7
SCHEMBL1252299 0.77 GAA (0.50) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL20157579 0.77 TP53 (0.38) MAPTHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL21362418 0.77 THRA (0.47) THRB
SCHEMBL20157580 0.77 LMNA (0.37) MAPTHTTSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 (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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 MAPT 237/4885HTT 1073/4885SMN1; SMN2 4369/4885

“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.