SCHEMBL1497101

SCHEMBL1497101

O=C1CCN(Cc2ccccc2Br)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.62
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 1/20 0.51
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR6 P50406 1/20 0.46
MPO P05164 1/20 0.43
HPGD P15428 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
SCHEMBL7447200 0.81 CYP2A13 (0.70) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL18356563 0.79 ALDH1A1 (0.71) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL12626359 0.79 CCR5 (0.52) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL5675256 0.79 ALDH1A1 (0.66) CYP2A13ALDH1A1KDM4ELMNAATM
SCHEMBL5675319 0.79 SIGMAR1 (0.64) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL5469942 0.79 KMT2A (0.64) CYP2A13ALDH1A1KDM4ELMNAATM
SCHEMBL8108285 0.79 SIGMAR1 (0.64) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL12663678 0.79 MPO (0.72) ALDH1A1KDM4ETSHRFAAHMPO
SCHEMBL6818375 0.78 ALDH1A1 (0.69) CYP2A13ALDH1A1KDM4ELMNATSHR
SCHEMBL29067014 0.77 CCR5 (0.53) CYP2A13ALDH1A1KDM4ETSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232068-B Compound and preparation method and application thereof 北京中医药大学 2023-09-08 CN disclosed
CN-102863376-B N-substituent methyl-3,5-is two replaces benzal base-4-piperidone and Synthesis and applications SHANGHAI NORMAL UNIVERSITY (CN) 2015-12-16 CN disclosed
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809352-B2 Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2475661-B1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-10-23 EP disclosed
EP-2475661-B1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-10-23 EP disclosed
CN-102863376-A N-substituted methyl-3,5-disubstituted benzylidene base-4-piperidone and preparation method and application thereof UNIV SHANGHAI 2013-01-09 CN disclosed
EP-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 EP disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165298-A1 SULFONAMIDE COMPOUNDS NOVARTIS AG (CH) 2012-06-28 US disclosed
CN-1930145-B Cycloalkanopyridine derivative MSD CO LTD 2011-06-15 CN disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed
CN-1930145-A Cycloalkanopyridine derivative BANYU PHARMA CO LTD (JP) 2007-03-14 CN 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-20120165298-A1 SULFONAMIDE COMPOUNDS BCLAF1, BCL2L11, BCL2 CYP2A13 3456/4885ALDH1A1 2784/4885KDM4E 2864/4885

“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.