SCHEMBL126320

SCHEMBL126320

c1ccc(C(CCNCCN2CCOCC2)c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL130129 0.89 ACHE (0.50) CASRMEN1KMT2ALMNACYP3A4
SCHEMBL128071 0.89 ACHE (0.57) MEN1KMT2ALMNACYP2D6ACHE
Hydrochloric Acid SCHEMBL126742 0.87 ACHE (0.56) MEN1KMT2ALMNACYP2D6ACHE
SCHEMBL132498 0.81 ALDH1A1 (0.60) CASRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL130443 0.80 SMN1; SMN2 (0.60) CASRLMNACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL170262 0.77 LMNA (0.46) LMNACYP1A2CYP3A4CYP2D6ACHE
SCHEMBL126714 0.76 ALDH1A1 (0.55) CASRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL126448 0.75 CYP1A2 (0.46) CASRLMNACYP1A2CYP3A4CYP2D6
SCHEMBL6158955 0.75 EPHX2 (0.51) LMNASMN1; SMN2
SCHEMBL125814 0.75 SIGMAR1 (0.59) ALDH1A1

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 CASR 4125/4885MEN1 953/4885KMT2A 2979/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS CASR 4045/4885MEN1 1697/4885KMT2A 2648/4885

“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.