SCHEMBL4122882

SCHEMBL4122882

COc1cccc(C(=O)c2cc(Br)ccc2N)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 2/20 0.50
GAA P10253 1/20 0.50
STAT3 P40763 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4125266 0.86 RECQL (0.57) RECQLKDM4EJAK2ALDH1A1MAPK13
SCHEMBL4117593 0.85 MAPT (0.50) MAPTPOLBGAASTAT3KDM4E
SCHEMBL4128972 0.85 TP53 (0.47) MAPTPOLBRECQLGAASTAT3
SCHEMBL14146162 0.80 GSTA1 (0.55) MAPTPOLBRECQLKDM4EGLA
SCHEMBL31315936 0.75 RECQL (0.71) MAPTPOLBRECQLKDM4EGLA
SCHEMBL332634 0.75 RECQL (0.71) MAPTPOLBRECQLKDM4EGLA
SCHEMBL2705425 0.74 RECQL (0.65) MAPTRECQLKDM4ENPC1MAPK13
SCHEMBL635552 0.74 RECQL (0.56) RECQLGAAKDM4ENPC1RAB9A
SCHEMBL4132207 0.74 RECQL (0.56) RECQLKDM4EMAPK13MAPK12MAPK11
SCHEMBL4124662 0.74 RECQL (0.56) RECQLGAAKDM4EALDH1A1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR MAPT 4428/4885POLB 2945/4885RECQL 271/4885

“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.