SCHEMBL2541108

SCHEMBL2541108

[CH2]Cc1cccc(C(=O)NC2CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.66
NPC1 O15118 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
RAB9A P51151 4/20 0.52
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10263884 0.84 SMYD3 (0.86) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL469009 0.84 SMYD3 (0.70) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL13559345 0.82 SMYD3 (0.65) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL20114775 0.81 SMYD3 (0.64) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL438011 0.81 SMYD3 (0.61) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL2536584 0.80 RAB9A (0.57) SMYD3NPC1LMNARAB9AKMT2A
SCHEMBL19701234 0.80 SMYD3 (1.00) SMYD3NPC1RAB9A
SCHEMBL21489753 0.80 SMYD3 (1.00) SMYD3NPC1RAB9A
SCHEMBL24529101 0.79 SMYD3 (0.78) SMYD3NPC1L3MBTL1LMNARAB9A
SCHEMBL1023353 0.79 L3MBTL1 (0.62) SMYD3NPC1L3MBTL1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 SMYD3 409/4885NPC1 1159/4885L3MBTL1 3929/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 SMYD3 661/4885NPC1 1195/4885L3MBTL1 3687/4885

“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.