SCHEMBL4166569

SCHEMBL4166569

O=C(O)c1cn2c3c(cc(Br)cc3c1=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2B P18089 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.35
SLC16A3 O15427 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL3982534 0.85 KDM4E (0.44) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL11258443 0.84 KDM4E (0.44) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL4889016 0.84 KDM4E (0.39) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL3811645 0.82 LMNA (0.49) KDM4ECYP1A2MAPK1ALDH1A1HPGD
SCHEMBL11744513 0.81 ACHE (0.46) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL8039755 0.78 HTR2A (0.49) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL3813096 0.77 KDM4E (0.41) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL4131074 0.76 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL4131070 0.76 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3977815 0.76 KDM4E (0.40) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 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 (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-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KDM4E 4180/4885SMN1; SMN2 1511/4885CYP1A2 126/4885

“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.