SCHEMBL3489386

SCHEMBL3489386

COc1cc(C)cc(Oc2ccc(N)c(N(C)C(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
PTPN1 P18031 1/20 0.35
TSPO P30536 1/20 0.35
RAF1 P04049 1/20 0.35
ARAF P10398 1/20 0.35
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PARP10 Q53GL7 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PGR P06401 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3488408 0.89 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B1HSD17B2RAF1ARAF
SCHEMBL3488383 0.88 PARP10 (0.45) SMN1; SMN2HSD17B1HSD17B2RAF1ARAF
SCHEMBL3487615 0.87 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HSD17B1HSD17B2KDM4E
SCHEMBL3488933 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD17B1HSD17B2BRAF
SCHEMBL3488177 0.85 HSD17B1 (0.44) ALDH1A1SMN1; SMN2HSD17B1HSD17B2BRAF
SCHEMBL3455019 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD17B1HSD17B2KDM4E
SCHEMBL3487215 0.84 HSD17B1 (0.52) ALDH1A1SMN1; SMN2HSD17B1HSD17B2POLB
SCHEMBL3488037 0.82 ALDH1A1 (0.39) ALDH1A1RAF1ARAFBRAFHDAC1
SCHEMBL3488405 0.81 TDP1 (0.42) ALDH1A1SMN1; SMN2HSD17B1HSD17B2POLB
SCHEMBL3487922 0.81 POLB (0.41) ALDH1A1SMN1; SMN2RAF1KDM4EPOLB

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 3 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
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 (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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA ALDH1A1 698/4885SMN1; SMN2 4397/4885HSD17B1 167/4885

“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.