SCHEMBL2207627

SCHEMBL2207627

CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
HIF1A Q16665 3/20 0.53
PRNP P04156 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
HTR6 P50406 2/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NQO2 P16083 1/20 0.52
HTR1D P28221 2/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL2204926 0.96 NPSR1 (0.54) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL1345680 0.87 NPSR1 (0.55) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL1345542 0.87 NPSR1 (0.52) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL2204200 0.87 HTR6 (0.53) NPSR1HTR6ALDH1A1MAPTMEN1
SCHEMBL3001929 0.86 HIF1A (0.71) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL2205501 0.86 HIF1A (0.53) NPSR1HIF1APRNPCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11080678 0.86 HTR6 (0.68) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL15622584 0.82 ALDH1A1 (0.61) NPSR1CYP1A2CYP2C19HTR6ALDH1A1
SCHEMBL3011731 0.81 ALDH1A1 (0.69) NPSR1HIF1APRNPCYP1A2CYP2C9
SCHEMBL2205926 0.81 MCL1 (0.58) NPSR1HTR6ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
EP-2134685-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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 (2 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 NPSR1 4505/4885HIF1A 2854/4885PRNP 2858/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 NPSR1 4505/4885HIF1A 2854/4885PRNP 2858/4885

“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.