SCHEMBL16583202

SCHEMBL16583202

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C)c1ccccn1.CS(=O)(=O)O

nearest known ligand 0.78

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 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 18/20 0.67
SLC6A2 known ✓ P23975 1/20 0.67
AGTR1 known ✓ P30556 1/20 0.67
SLC6A3 known ✓ Q01959 1/20 0.67
NQO2 P16083 2/20 0.78
NR1I2 O75469 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
SCN5A Q14524 1/20 0.67
SLC22A2 O15244 1/20 0.64
F10 P00742 1/20 0.64
PLG P00747 1/20 0.64
PLAT P00750 1/20 0.64
PROC P04070 1/20 0.64
HPN P05981 1/20 0.64
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
SLC47A2 Q86VL8 1/20 0.64
SLC47A1 Q96FL8 1/20 0.64
NPC1 O15118 1/20 0.46

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
SCHEMBL505917 0.97 NQO2 (0.82) NQO2F2NR1I2ADORA3SLC6A2
Hydrochloric Acid SCHEMBL14696865 0.97 NQO2 (0.81) NQO2F2NR1I2ADORA3SLC6A2
Oxalic Acid SCHEMBL13684738 0.95 NQO2 (0.79) NQO2F2NR1I2ADORA3SLC6A2
Acetic Acid SCHEMBL17065501 0.95 NQO2 (0.79) NQO2F2NR1I2ADORA3SLC6A2
Fumaric Acid SCHEMBL15415353 0.93 NQO2 (0.76) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL20211337 0.92 NQO2 (0.67) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL20211338 0.92 F2 (0.76) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6779120 0.91 NQO2 (0.71) NQO2F2NR1I2ADORA3SLC6A2
Dabigatran Ethyl Ester SCHEMBL16583204 0.90 NQO2 (0.94) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6780244 0.90 NQO2 (0.70) NQO2F2NR1I2ADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP claimed
US-20150087842-A1 Process For The Preparation Of Benzimidazole Derivatives And Salts Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-03-26 US claimed
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP disclosed
US-9273030-B2 Process for the preparation of benzimidazole derivatives and salts thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2016-03-01 US disclosed
US-20150366813-A1 LIQUID-FILLED IMMEDIATE RELEASE SOFT GELATIN CAPSULES PATHEON SOFTGELS INC 2015-12-24 US disclosed
US-20150087842-A1 Process For The Preparation Of Benzimidazole Derivatives And Salts Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-03-26 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 (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-20150087842-A1 Process For The Preparation Of Benzimidazole Derivatives And Salts Thereof AZI2, IL4I1, ABAT F2 4142/4885SLC6A2 2353/4885AGTR1 3353/4885

“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.