SCHEMBL378755

SCHEMBL378755

CCCC(=O)Nc1ccc(OC)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
MTNR1B P49286 6/20 0.56
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MTNR1A P48039 3/20 0.51
F2R P25116 1/20 0.51
CDYL Q9Y232 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ESRRA P11474 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
SCHEMBL28692790 0.88 MAPT (0.52) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL21852785 0.86 NPC1 (0.64) ALDH1A1NPC1RAB9AMAPTMTNR1B
SCHEMBL24499540 0.85 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL21405761 0.84 MAPT (0.50) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL14886137 0.82 MAPT (0.67) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL7563176 0.81 LMNA (0.61) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL8165012 0.80 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL30355120 0.80 LMNA (0.66) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL3997305 0.80 LMNA (0.66) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL28044046 0.79 MTNR1B (0.56) ALDH1A1NPC1RAB9AHPGDMAPT

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-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
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

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 2041/4885NPC1 3701/4885RAB9A 2880/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 ALDH1A1 2041/4885NPC1 3701/4885RAB9A 2880/4885

“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.