SCHEMBL378588

SCHEMBL378588

CC(C)CC(=O)Nc1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
F2R P25116 2/20 0.64
HPGD P15428 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.58
PTPN1 P18031 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL10069980 0.83 KMT2A (0.73) GAAF2RHPGDALDH1A1SMN1; SMN2
SCHEMBL5142687 0.83 GAA (0.77) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL29893001 0.83 GAA (0.67) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL19984585 0.83 GAA (0.67) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL5690831 0.81 GAA (1.00) GAAF2RHPGDALDH1A1SMN1; SMN2
SCHEMBL2608537 0.81 MEN1 (0.70) GAAF2RHPGDALDH1A1SMN1; SMN2
SCHEMBL3652608 0.81 ALDH1A1 (0.60) GAAF2RHPGDALDH1A1SMN1; SMN2
SCHEMBL11795655 0.81 SMN1; SMN2 (0.63) GAAF2RHPGDALDH1A1SMN1; SMN2
SCHEMBL22742984 0.80 GAA (0.63) GAAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL7429227 0.80 GAA (0.73) GAAHPGDALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297812-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2016-10-13 US disclosed
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-8664241-B2 Indazole inhibitors of the Wnt signal pathway and therapeutic uses thereof SAMUMED, LLC (US) 2014-03-04 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
EP-2134691-B1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
EP-2134691-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 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-20160297812-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A GAA 2480/4885F2R 2511/4885HPGD 635/4885
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 GAA 3465/4885F2R 1003/4885HPGD 1677/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 GAA 3465/4885F2R 1003/4885HPGD 1677/4885

“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.