SCHEMBL130443

SCHEMBL130443

O=C(CC(c1ccccc1)c1cccnc1)NCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
HPGD P15428 3/20 0.60
GLA P06280 1/20 0.60
POLB P06746 1/20 0.56
CASR P41180 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CD274 Q9NZQ7 1/20 0.48
ADORA2B P29275 1/20 0.48

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
SCHEMBL126460 0.90 SMN1; SMN2 (0.63) SMN1; SMN2HPGDGLAPOLBLMNA
SCHEMBL126358 0.90 HPGD (0.71) SMN1; SMN2HPGDGLAPOLBLMNA
SCHEMBL9852962 0.81
SCHEMBL126320 0.80 CASR (0.54) SMN1; SMN2CASRLMNACYP3A4ALDH1A1
SCHEMBL23973833 0.78 POLB (0.64) SMN1; SMN2HPGDPOLBLMNACYP3A4
SCHEMBL127216 0.77 RAB9A (0.64) SMN1; SMN2HPGDGLAPOLBCYP3A4
SCHEMBL30415794 0.74 EPHX2 (0.62) SMN1; SMN2POLBCASRLMNACYP3A4
SCHEMBL23745653 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HPGDGLAPOLBLMNA
Hydrochloric Acid SCHEMBL23721925 0.72 SMN1; SMN2 (0.44) SMN1; SMN2HPGDGLAPOLBLMNA
SCHEMBL12310313 0.72 TACR3 (0.59) SMN1; SMN2HPGDLMNAHSD17B10ALDH1A1

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 12 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
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
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 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
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 SMN1; SMN2 4565/4885HPGD 775/4885GLA 2280/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS SMN1; SMN2 4052/4885HPGD 590/4885GLA 752/4885

“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.