SCHEMBL5777262

SCHEMBL5777262

NC(=O)c1c[c]ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
DGAT1 O75907 1/20 0.37
CDC7 O00311 2/20 0.37
EEF2K O00418 1/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
INSR P06213 1/20 0.37
CDK1 P06493 1/20 0.37
CSF1R P07333 1/20 0.37
IGF1R P08069 1/20 0.37
ROS1 P08922 1/20 0.37
PIM1 P11309 1/20 0.37
PHKG2 P15735 1/20 0.37
PRKACA P17612 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL232871 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL12970754 0.80 ALDH1A1 (0.38) DGAT1ALDH1A1MAPTKDM4EHPGD
SCHEMBL27339754 0.79 ALDH1A1 (0.32) ALDH1A1HPGDMAPK1
SCHEMBL4116744 0.77 KDM4E (0.50) ERN1KDRALDH1A1MAPTKDM4E
SCHEMBL4488041 0.77 IKBKB (0.40) LIMK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11004280 0.77 SIRT3 (0.47) LIMK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL4806709 0.75 KMT2A (0.41) CDC7EEF2KPLK4AURKADAPK3
SCHEMBL1476008 0.75 DGAT1 (0.41) DGAT1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5120316 0.75 TSHR (0.40) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL10388499 0.72 ERN1 (0.35) ERN1DGAT1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN claimed
CN-105980384-B Macrocyclic compounds having a heterocyclic P2' group as factor XIA inhibitors 百时美施贵宝公司 2019-11-15 CN disclosed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN disclosed
US-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
CN-1791575-A Cyanofluoropyrrolidine derivative. TAISHO PHARMACEUTICAL CO LTD (JP) 2006-06-21 CN disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP 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-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R ERN1 3853/4885DGAT1 4083/4885CDC7 1742/4885

“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.