SCHEMBL4918571

SCHEMBL4918571

COC(=O)c1cc(CBr)ncc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 5/20 0.37
ABL1 P00519 1/20 0.37
PLA2G2A P14555 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24769678 0.86 ALDH1A1 (0.43) ALDH1A1TSHRGAAMRGPRX4MEN1
SCHEMBL24770163 0.86 ALDH1A1 (0.40) ALDH1A1TSHRGAAMRGPRX4MEN1
SCHEMBL30017097 0.86 ALDH1A1 (0.40) ALDH1A1TSHRGAAMRGPRX4MEN1
SCHEMBL3806408 0.83 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1TSHRGAA
SCHEMBL4750181 0.80 GAA (0.42) ALDH1A1TSHRGAAMEN1LMNA
SCHEMBL6181441 0.80 P2RX7 (0.44) ALDH1A1TSHRGAAMRGPRX4MEN1
SCHEMBL31133273 0.79 GAA (0.41) ALDH1A1TSHRGAAMEN1LMNA
SCHEMBL23214285 0.79 GAA (0.41) ALDH1A1TSHRGAAMEN1LMNA
SCHEMBL30217866 0.78 KDM4E (0.47) ALDH1A1TSHRGAAMEN1LMNA
SCHEMBL236107 0.78 KDM4E (0.47) ALDH1A1TSHRGAAMEN1LMNA

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
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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 (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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R CYP4F2 967/4885CYP4A11 92/4885ALDH1A1 408/4885

“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.