SCHEMBL172246

SCHEMBL172246

Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
MAPT P10636 13/20 1.00
HPGD P15428 2/20 1.00
POLB P06746 2/20 0.65
RAB9A P51151 7/20 0.63
LMNA P02545 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SMN1; SMN2 Q16637 8/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.61
MAPK1 P28482 3/20 0.61
HTT P42858 3/20 0.61
MEN1 O00255 3/20 0.61
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 5/20 0.55
TP53 P04637 1/20 0.54

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
SCHEMBL19627036 0.86 ALDH1A1 (0.76) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4260670 0.83 MAPT (0.71) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4262010 0.83 MAPT (0.74) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL19625385 0.83 MAPT (0.71) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4265194 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4267996 0.83 POLB (0.77) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4272674 0.82 ALDH1A1 (0.69) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4264642 0.82 MAPT (0.69) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4264671 0.82 MAPT (0.69) ALDH1A1MAPTHPGDPOLBRAB9A
SCHEMBL4263376 0.82 ALDH1A1 (0.69) ALDH1A1MAPTHPGDPOLBRAB9A

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 8 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
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

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 ALDH1A1 375/4885MAPT 2367/4885HPGD 775/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ALDH1A1 564/4885MAPT 1861/4885HPGD 590/4885

“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.