SCHEMBL374195

SCHEMBL374195

Nc1ccc(Oc2ccnc3cc(OCc4ccccc4)ccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MAOB P27338 2/20 0.44
MAPT P10636 2/20 0.44
GRM4 Q14833 1/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AXL P30530 3/20 0.43
MET P08581 13/20 0.43
KDR P35968 10/20 0.43
MST1R Q04912 1/20 0.43
FLT4 P35916 1/20 0.42
TEK Q02763 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
IGF1R P08069 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL23146960 0.84 MAOB (0.40) CYP3A4MAOBMAPTGRM4GAA
SCHEMBL12003799 0.83 CTSV (0.48) CYP3A4MAOBMAPTGRM4RAB9A
SCHEMBL12004568 0.82 MET (0.53) AXLMETKDRFLT4TEK
SCHEMBL372031 0.82 AXL (0.61) AXLMETKDRMST1R
SCHEMBL31412927 0.82 AXL (0.61) AXLMETKDRMST1R
SCHEMBL29812085 0.82 TRPA1 (0.53) AXLMETKDRTEKIGF1R
SCHEMBL199658 0.82 TRPA1 (0.53) AXLMETKDRTEKIGF1R
SCHEMBL16933077 0.81 AXL (0.60) AXLMETKDRMST1R
Hydrochloric Acid SCHEMBL14967852 0.81 TRPA1 (0.52) AXLMETKDRTEKIGF1R
SCHEMBL16933075 0.81 AXL (0.59) AXLMETKDRMST1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532657-B9 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2017-04-19 EP disclosed
EP-2532657-B1 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2016-08-31 EP disclosed
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
EP-2532657-A2 Compounds and methods of use Sunshine Lake Pharma Co., Ltd (CN) 2012-12-12 EP disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
EP-2340244-A1 COMPOUNDS AND METHODS OF USE Xi, Ning (US) 2011-07-06 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 US disclosed
WO-2010045095-A1 COMPOUNDS AND METHODS OF USE XI NING (US) 2010-04-22 WO disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 US 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 (3 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 CYP3A4 3990/4885MAOB 3896/4885MAPT 2215/4885
US-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX CYP3A4 4830/4885MAOB 3028/4885MAPT 3642/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ CYP3A4 4601/4885MAOB 3992/4885MAPT 4369/4885

“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.