SCHEMBL2704345

SCHEMBL2704345

[C-]#[N+]c1ccc(NC(=O)C2(C)CN=C(C)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL204920 0.80 SAE1 (0.43) MAPTLMNARAB9AMAPK1POLB
SCHEMBL203688 0.77 APEX1 (0.47) MAPTLMNARAB9AMAPK1POLB
SCHEMBL201950 0.69 AR (0.46)
SCHEMBL2702592 0.68 MAPT (0.31) MAPTLMNARAB9AMAPK1
SCHEMBL2702503 0.68 BACE1 (0.32) LMNAPOLBSMN1; SMN2
SCHEMBL3429238 0.67 MAPT (0.57) MAPTLMNARAB9ATP53POLB
SCHEMBL9272289 0.66 LMNA (0.49) MAPTLMNARAB9APOLBALDH1A1
SCHEMBL2970035 0.65 PTGS1 (0.37) LMNAALDH1A1
SCHEMBL29957953 0.65 KMT2A (0.60) MAPTRAB9APOLBALDH1A1NPC1
SCHEMBL9817680 0.62 LMNA (0.61) MAPTLMNARAB9AMAPK1TP53

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-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 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 (2 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-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MAPT 2544/4885LMNA 3680/4885RAB9A 3036/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MAPT 2544/4885LMNA 3680/4885RAB9A 3036/4885

“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.