SCHEMBL3340092

SCHEMBL3340092

COC(=O)COc1ccccc1NCC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LIPE Q05469 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AGTR1 P30556 1/20 0.33
MAPT P10636 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL3343103 0.80 LMNA (0.43) LMNANPC1RAB9ATHRBTDP1
SCHEMBL3335276 0.80 LMNA (0.40) LMNANPC1RAB9ATDP1SMN1; SMN2
SCHEMBL3341090 0.78 MAPT (0.34) LMNAMEN1KMT2ALIPESMN1; SMN2
SCHEMBL3340089 0.77 MAPT (0.39) LMNATHRBTDP1MEN1KMT2A
SCHEMBL19548414 0.77 AAK1 (0.32) THRBTDP1LIPE
SCHEMBL1948590 0.75 ALDH1A1 (0.40) LMNAMEN1KMT2ALIPESMN1; SMN2
SCHEMBL3338681 0.74 LMNA (0.55) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3342063 0.71 AAK1 (0.34) MEN1KMT2ALIPEMAPT
SCHEMBL3336720 0.71 ALDH1A1 (0.48) LMNANPC1RAB9ATDP1MEN1
SCHEMBL3338200 0.70 MAPT (0.41) SMN1; SMN2L3MBTL1MAPTCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 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-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR LMNA 2752/4885NPC1 1143/4885RAB9A 1263/4885

“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.