SCHEMBL4058097

SCHEMBL4058097

FC(F)(F)c1cccc(-c2nc3ccc(Br)cc3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 1/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NOTUM Q6P988 2/20 0.46
MGLL Q99685 1/20 0.45
HPGD P15428 1/20 0.45
PTPN2 P17706 3/20 0.45

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
SCHEMBL4057433 0.87 S1PR1 (0.43) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14243239 0.85 HDAC6 (0.53) UTRNKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL4057037 0.83 HDAC6 (0.41) UTRNKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL2583111 0.82 UTRN (0.54) UTRNKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL4054930 0.81 P2RY14 (0.49) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4050999 0.81 MAPT (0.48) UTRNKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31261526 0.80 TTR (0.58) UTRNKDM4EALDH1A1MEN1KMT2A
SCHEMBL438176 0.80 TTR (0.58) UTRNKDM4EALDH1A1MEN1KMT2A
SCHEMBL2139699 0.79 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4055951 0.79 NPC1 (0.70) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 UTRN 4874/4885KDM4E 496/4885SMN1; SMN2 4289/4885

“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.