SCHEMBL4574697

SCHEMBL4574697

COc1ccc(CCNc2ncc(C(C)C)cn2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.47
IGF1R P08069 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
ALOX15 P16050 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 1/20 0.40
INSR P06213 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
SCHEMBL4575315 0.85 LMNA (0.49) LMNATSHRIGF1RMAPTUSP2
SCHEMBL13359867 0.72 POLB (0.72) TSHRMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4381740 0.71 HTR7 (0.49) LMNATSHRMAPTUSP2ALDH1A1
SCHEMBL14144990 0.71 POLB (0.51) MAPTSMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL4575334 0.71 USP2 (0.51) LMNATSHRMAPTUSP2SMN1; SMN2
SCHEMBL19019516 0.70 CA2 (0.50) LMNARAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4575113 0.70 LMNA (0.49) LMNATSHRMAPTUSP2SMN1; SMN2
SCHEMBL4575454 0.70 BCDIN3D (0.50) LMNATSHRMAPTUSP2SMN1; SMN2
SCHEMBL9008399 0.70 SMN1; SMN2 (0.67) LMNATSHRNPC1RAB9AMAPT
SCHEMBL8294365 0.70 MAPT (0.49) LMNAMAPTSMN1; SMN2L3MBTL1ALDH1A1

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD LMNA 3670/4885TSHR 1136/4885IGF1R 1018/4885

“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.