SCHEMBL170301

SCHEMBL170301

O=C(O)CC(c1ccccc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
EPHX2 P34913 1/20 0.50
LMNA P02545 3/20 0.49
HMOX2 P30519 1/20 0.49
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FFAR1 O14842 1/20 0.46
PLOD2 O00469 1/20 0.46
PLOD3 O60568 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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 SCHEMBL128794 0.98 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3EPHX2LMNA
Ethylene Glycol SCHEMBL7215786 0.88 MMP12 (0.42) SLC6A2SLC6A4SLC6A3EPHX2LMNA
3,3-Diphenylpropanoic Acid SCHEMBL66473 0.87 GABBR2 (0.59) LMNAGABBR2GABBR1HPGDFFAR1
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.87 GABBR2 (0.59) LMNAGABBR2GABBR1HPGDFFAR1
3,3-Diphenylpropanoic Acid SCHEMBL28079188 0.85 GABBR2 (0.57) LMNAGABBR2GABBR1HPGDFFAR1
3,3-Diphenylpropanoic Acid SCHEMBL9100138 0.85 GABBR2 (0.57) LMNAGABBR2GABBR1HPGDFFAR1
3,3-Diphenylpropanoic Acid SCHEMBL28079326 0.85 GABBR2 (0.57) LMNAGABBR2GABBR1HPGDFFAR1
3,3-Diphenylpropanoic Acid SCHEMBL5740483 0.85 GABBR2 (0.57) LMNAGABBR2GABBR1HPGDFFAR1
SCHEMBL2203786 0.85 CYP2C19 (0.56) SLC6A2SLC6A4SLC6A3EPHX2LMNA
SCHEMBL8672694 0.85 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 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 (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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 SLC6A2 3896/4885SLC6A4 4269/4885SLC6A3 4302/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS SLC6A2 3644/4885SLC6A4 4393/4885SLC6A3 3959/4885

“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.