SCHEMBL743985

SCHEMBL743985

O=COCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KEAP1 Q14145 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ANPEP P15144 1/20 0.33
TYMP P19971 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL197295 0.78 GLA (0.42) KDM4ETSHRGLASMN1; SMN2ALDH1A1
SCHEMBL5294936 0.78
SCHEMBL28132579 0.78
SCHEMBL2104341 0.76 SMN1; SMN2 (0.40) HSD17B10ALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9869781 0.75 KEAP1 (0.48) KDM4ETSHRUSP2SMN1; SMN2ALDH1A1
SCHEMBL10000708 0.73 PAOX (0.34) KDM4ETSHRGLAALDH1A1TDP1
SCHEMBL5236146 0.73 SMN1; SMN2 (0.34) HSD17B10SMN1; SMN2ANPEP
SCHEMBL443253 0.73 PAOX (0.34) KDM4ETSHRGLAALDH1A1TDP1
SCHEMBL14361231 0.72 POLB (0.54) KDM4EHSD17B10GLAALDH1A1TDP1
SCHEMBL347618 0.72 USP2 (0.44) KDM4EHSD17B10ALOX15TSHRUSP2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US claimed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO claimed
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-01-14 US disclosed
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-12-25 US disclosed
US-9758513-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 US disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
WO-2017061534-A1 DIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2017-04-13 WO disclosed
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 US disclosed
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US disclosed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US disclosed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (8 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-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 KDM4E 4684/4885HSD17B10 4363/4885ALOX15 1726/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 KDM4E 740/4885HSD17B10 3259/4885ALOX15 2113/4885
US-10160727-B2 Heterocycle and carbocycle derivatives having TrkA inhibitory activity NR5A2, NPY5R, MC5R KDM4E 737/4885HSD17B10 3440/4885ALOX15 2043/4885
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 KDM4E 891/4885HSD17B10 2882/4885ALOX15 3551/4885
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP KDM4E 2950/4885HSD17B10 255/4885ALOX15 1115/4885
US-10532985-B2 Heterocycle and carbocycle derivatives having TRKA inhibitory activity NR5A2, NPY5R, MC5R KDM4E 737/4885HSD17B10 3440/4885ALOX15 2043/4885
US-20170240512-A1 HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY NR5A2, NPY5R, MC5R KDM4E 737/4885HSD17B10 3440/4885ALOX15 2043/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 KDM4E 645/4885HSD17B10 3784/4885ALOX15 2424/4885

“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.