SCHEMBL5458743

SCHEMBL5458743

CCCCNc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SCN5A Q14524 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
DRD4 P21917 1/20 0.49
ACHE P22303 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK1 P28482 1/20 0.49
NTSR1 P30989 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
SCN7A Q01118 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL11473930 0.91 MAPT (0.63) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL5204322 0.90 MAPT (0.59) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL11299238 0.87 MAPT (0.51) MAPTLMNASMN1; SMN2CNR1CYP4Z1
SCHEMBL11299235 0.87 MAPT (0.51) MAPTLMNASMN1; SMN2CNR1CYP4Z1
SCHEMBL11153710 0.86 MAPT (0.50) MAPTLMNASMN1; SMN2CYP1A2CYP4Z1
SCHEMBL11460602 0.86 MAPT (0.55) MAPTLMNASMN1; SMN2SCN5ACYP1A2
SCHEMBL11458148 0.84 MAPT (0.67) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL10788407 0.84 MAPT (0.53) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL11244265 0.84 MAPT (0.53) MAPTLMNASMN1; SMN2CYP4Z1KDM4E
SCHEMBL7345267 0.83 MAPT (0.65) MAPTLMNASMN1; SMN2CYP4Z1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A MAPT 577/4885LMNA 1833/4885SMN1; SMN2 773/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG MAPT 4844/4885LMNA 4406/4885SMN1; SMN2 2719/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 MAPT 4608/4885LMNA 2227/4885SMN1; SMN2 600/4885

“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.