SCHEMBL3488415

SCHEMBL3488415

CNc1nc(Oc2cc(C)cc(C)c2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP4K4 O95819 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NUDT1 P36639 1/20 0.37
MAOA P21397 1/20 0.34
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
F10 P00742 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.33
CYP2C9 P11712 1/20 0.32
MAPT P10636 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
SCHEMBL3487078 0.86 MEN1 (0.50) ALDH1A1SMN1; SMN2MAP4K4KDM4ENUDT1
SCHEMBL3487123 0.82 KMT2A (0.44) ALDH1A1SMN1; SMN2MAP4K4KDM4ENUDT1
SCHEMBL2944371 0.81 NUDT1 (0.53) ALDH1A1MAP4K4NUDT1MAOAF10
SCHEMBL3487024 0.79 MAP4K4 (0.42) SMN1; SMN2MAP4K4KDM4ENUDT1F10
Orcinol SCHEMBL6424543 0.76 NNMT (0.36) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3488287 0.76 POLB (0.44) ALDH1A1SMN1; SMN2MAOAMEN1KMT2A
SCHEMBL29378197 0.74 SIRT2 (0.41) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL95212 0.74 SIRT2 (0.41) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
Hydrochloric Acid SCHEMBL3391003 0.73 SIRT2 (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB
Hydrochloric Acid SCHEMBL31409347 0.73 SIRT2 (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2APOLB

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
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
CN-101679298-B Fused bicyclic heteroaryl derivatives DAIICHI SANKYO CO LTD 2013-10-23 CN disclosed
US-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA ALDH1A1 698/4885SMN1; SMN2 4397/4885MAP4K4 2382/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA ALDH1A1 698/4885SMN1; SMN2 4397/4885MAP4K4 2382/4885

“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.