SCHEMBL4722611

SCHEMBL4722611

CCOc1ccc(-c2ncco2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.62
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 9/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 5/20 0.56
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.55
NQO1 P15559 1/20 0.52

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
SCHEMBL4723124 0.86 NPC1 (0.60) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL4724589 0.86 RAB9A (0.60) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL4314798 0.83 LTA4H (0.64) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL722557 0.82 LTA4H (0.64) LTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL11029318 0.82 S1PR1 (0.56) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL28320605 0.80 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28257875 0.80 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28362996 0.80 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL13049175 0.79 LTA4H (0.64) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL8239613 0.79 LTA4H (0.50) LTA4HNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327006-A Preparation method of 5-ehtyl-4-formamidooxazole Hunan huateng pharmaceutical co ltd 2015-02-04 CN claimed
CN-104262281-A Preparation method of 2-bromo-4(4-ethoxyphenyl) oxazole Hunan huateng pharmaceutical co ltd 2015-01-07 CN claimed
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-06-21 US disclosed
CN-105753787-B Tumor-targeting drug Combretastatin A4 derivatives 南京圣和药业股份有限公司 2018-05-15 CN disclosed
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 EP disclosed
CN-104262281-A Preparation method of 2-bromo-4(4-ethoxyphenyl) oxazole Hunan huateng pharmaceutical co ltd 2015-01-07 CN disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 LTA4H 70/4885NPC1 3867/4885RAB9A 2943/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 LTA4H 2505/4885NPC1 2489/4885RAB9A 3162/4885

“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.