SCHEMBL16401291

SCHEMBL16401291

O=C(OCc1ccccc1)N1C[C@H](OC2CC2)C[C@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTR2C P28335 1/20 0.41
AGTR2 P50052 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL16403080 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL23631957 0.92 PDK1 (0.41) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL16402973 0.87 ABCB1 (0.44) SMN1; SMN2NPC1RAB9APOLBPSEN1
SCHEMBL30054860 0.87 ABCB1 (0.44) SMN1; SMN2NPC1RAB9APOLBPSEN1
SCHEMBL18569430 0.87 ABCB1 (0.44) SMN1; SMN2NPC1RAB9APOLBPSEN1
SCHEMBL6319947 0.86 POLB (0.45) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL31722138 0.84 PREP (0.44) SPHK2TMEM97SIGMAR1PREP
SCHEMBL31721845 0.84 PREP (0.44) SPHK2TMEM97SIGMAR1PREP
SCHEMBL31721778 0.84 PREP (0.44) SPHK2TMEM97SIGMAR1PREP
SCHEMBL31722134 0.84 PREP (0.44) SPHK2TMEM97SIGMAR1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 SMN1; SMN2 2126/4885NPC1 2824/4885RAB9A 4040/4885

“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.