SCHEMBL13056573

SCHEMBL13056573

CC(C)(C)OC(=O)NNC(=O)CCOCCNC(=O)c1nc2ccccc2nc1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GBA1 P04062 1/20 0.38
BCHE P06276 1/20 0.38
IDO1 P14902 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35

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
SCHEMBL1754974 0.81 BCHE (0.54) MEN1NPC1GAARAB9AKMT2A
SCHEMBL42291 0.81 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL23308032 0.81 SMN1; SMN2 (0.43) NPC1GAARAB9ASMN1; SMN2HDAC3
SCHEMBL13056574 0.79 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL18680081 0.79 SMN1; SMN2 (0.43) MEN1NPC1GAARAB9AKMT2A
SCHEMBL42555 0.79 GFER (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL18685198 0.78 SMN1; SMN2 (0.41) MEN1NPC1GAARAB9AKMT2A
SCHEMBL13056575 0.77 SMN1; SMN2 (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13056576 0.76 SMN1; SMN2 (0.46) NPC1GAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL17328017 0.75 LMNA (0.66) MEN1KMT2ASMN1; SMN2BCHEIDO1

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 MEN1 4162/4885NPC1 4102/4885GAA 4212/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG MEN1 3673/4885NPC1 4213/4885GAA 3851/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB MEN1 3645/4885NPC1 4507/4885GAA 2789/4885

“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.