SCHEMBL185065

SCHEMBL185065

O=C(O)NCc1cccc(CNCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC2 Q92769 1/20 0.50
GAA P10253 1/20 0.50
AOC3 Q16853 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 1/20 0.49
HPGD P15428 1/20 0.49
MC4R P32245 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
SCHEMBL195675 0.92 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8059189 0.90 CYP1A2 (0.68) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27866 0.86 CYP2D6 (0.80) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15157842 0.85 SRC (0.54) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL184791 0.85 MLYCD (0.51) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Iodide SCHEMBL30583028 0.84 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Ammonia Solution, Strong SCHEMBL22534204 0.84 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Bromide SCHEMBL21847280 0.84 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL28383085 0.84 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Hydrogen Sulfide SCHEMBL10338701 0.84 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2297103-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
WO-2009152082-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-17 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-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 CYP1A2 3399/4885CYP2D6 2547/4885CYP2C9 4165/4885

“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.