SCHEMBL5577174

SCHEMBL5577174

CS(=O)(=O)O.CSc1ccc(-c2nn(Cc3cccnc3)c(=O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.36
MARS1 P56192 2/20 0.45
SLC16A3 O15427 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NR3C1 P04150 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 2/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL393900 0.94 MARS1 (0.47) MARS1SLC16A3PTGS1PTGS2MEN1
SCHEMBL3948221 0.86 PTGS2 (0.57) MARS1SLC16A3PTGS1PTGS2MEN1
SCHEMBL3941886 0.85 MAPK14 (0.43) MARS1PTGS1PTGS2MEN1KMT2A
SCHEMBL395928 0.85 MEN1 (0.58) MARS1MEN1KMT2AKDM4EMAPT
SCHEMBL395735 0.83 MARS1 (0.43) MARS1SLC16A3PTGS1PTGS2KMT2A
SCHEMBL3939882 0.80 MARS1 (0.46) MARS1SLC16A3PTGS1PTGS2MEN1
SCHEMBL3938949 0.79 MEN1 (0.52) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5577160 0.76 LMNA (0.47) MARS1SLC16A3MEN1KMT2AMAPT
SCHEMBL7735112 0.76 PTGS2 (0.54) MARS1SLC16A3PTGS1PTGS2
SCHEMBL3938737 0.76 MEN1 (0.57) PTGS1PTGS2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021418-A1 Method of inhibiting production of osteopontin KOWA CO., LTD. (JP) 2007-01-25 US disclosed
EP-1650195-A1 METHOD OF INHIBITING PRODUCTION OF OSTEOPONTIN Kowa Co., Ltd. (JP) 2006-04-26 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 (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-20070021418-A1 Method of inhibiting production of osteopontin HDGF, PGF, FGF23 CHRM1 1318/4885MARS1 2975/4885SLC16A3 1783/4885

“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.