SCHEMBL3736270

SCHEMBL3736270

CCOC(=N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
F10 P00742 5/20 0.51
F2 P00734 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
PTGS2 P35354 1/20 0.46
LTA4H P09960 1/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46

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
Hydrochloric Acid SCHEMBL3736269 0.98 AKR1C3 (0.53) AKR1C3F10F2MEN1MAPT
SCHEMBL3739816 0.86 LTA4H (0.53) F10F2MAPTERCC5FEN1
Hydrochloric Acid SCHEMBL3739815 0.85 LTA4H (0.52) MAPTERCC5FEN1ALDH1A1LMNA
SCHEMBL5504569 0.83 PRSS1 (0.61) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3731767 0.83 TP53 (0.50) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9938318 0.82 MEN1 (0.70) AKR1C3F10F2MEN1MAPT
SCHEMBL13108721 0.82 DGAT1 (0.52) F10F2MEN1MAPTKMT2A
SCHEMBL437904 0.82 DGAT1 (0.52) F10F2MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL3138169 0.81 PRSS1 (0.50) F2MEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL2458653 0.81 PRSS1 (0.59) MEN1MAPTKMT2AALDH1A1LMNA

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-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 AKR1C3 281/4885F10 2340/4885F2 2369/4885

“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.