SCHEMBL13056578

SCHEMBL13056578

O=C(CCOCCNC(=O)c1nc2ccccc2nc1O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
EGLN1 Q9GZT9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14892664 0.99 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDEGLN1KDM4E
SCHEMBL13056574 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HPGDEGLN1NPC1
SCHEMBL42291 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDEGLN1NPC1
SCHEMBL23308032 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL13056575 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL13056576 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL18685198 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL18680081 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EGLA
SCHEMBL42123 0.73 MAPT (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ETP53
SCHEMBL19658311 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHSD17B10MEN1KMT2A

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-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2021-08-17 US disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 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 (3 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN SMN1; SMN2 4773/4885ALDH1A1 2096/4885HPGD 1355/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG SMN1; SMN2 4733/4885ALDH1A1 3347/4885HPGD 1812/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB SMN1; SMN2 4647/4885ALDH1A1 2734/4885HPGD 1803/4885

“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.