SCHEMBL2800153

SCHEMBL2800153

COCC(=O)Nc1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
HPGD P15428 4/20 0.73
GAA P10253 1/20 0.69
EGFR P00533 1/20 0.63
MAPT P10636 5/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
CYP2C19 P33261 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL9495103 0.88 SMN1; SMN2 (0.71) ALDH1A1HPGDMAPTSMN1; SMN2CYP2C19
SCHEMBL3217401 0.84 GAA (0.65) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL5142687 0.83 GAA (0.77) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11412031 0.82 SMN1; SMN2 (0.64) ALDH1A1HPGDMAPTSMN1; SMN2CYP2C19
SCHEMBL6579498 0.82 MAPK1 (0.68) ALDH1A1HPGDMAPTSMN1; SMN2CYP2C19
SCHEMBL5690831 0.81 GAA (1.00) ALDH1A1HPGDGAAEGFRMAPT
SCHEMBL2502606 0.81 NPC1 (0.76) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11302253 0.81 SMN1; SMN2 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2CYP2C19
SCHEMBL11680494 0.81 SMN1; SMN2 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2CYP2C19
SCHEMBL28429030 0.80 ALDH1A1 (0.72) ALDH1A1HPGDGAAMAPTSMN1; SMN2

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-3643308-B1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2021-05-19 EP disclosed
EP-3643308-A1 COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF CSTONE PHARMACEUTICALS (KY) 2020-04-29 EP disclosed
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 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 (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-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 ALDH1A1 2041/4885HPGD 1677/4885GAA 3465/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 ALDH1A1 2041/4885HPGD 1677/4885GAA 3465/4885

“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.