SCHEMBL4055949

SCHEMBL4055949

Clc1ccc(Cc2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
USP2 O75604 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK10 P53779 1/20 0.51
SOS1 Q07889 1/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIK3CG P48736 1/20 0.41
STAT3 P40763 1/20 0.40

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
SCHEMBL15688526 0.85 LMNA (0.51) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL2591074 0.85 LMNA (0.58) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL8361904 0.82 MAPT (0.58) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL11639549 0.79 MAPT (0.54) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL4055954 0.79 LMNA (0.56) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL5077628 0.79 LMNA (0.60) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL10849069 0.78 TP53 (0.83) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL11636658 0.78 LMNA (0.61) MAPTPOLBLMNASMN1; SMN2TP53
SCHEMBL23932508 0.78 MAPT (0.46) MAPTLMNASMN1; SMN2TP53USP2
SCHEMBL30041004 0.78 MAPT (0.46) MAPTLMNASMN1; SMN2TP53USP2

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B MAPT 4026/4885POLB 783/4885LMNA 2175/4885

“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.