SCHEMBL13056585

SCHEMBL13056585

CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCOCCI)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CA9 Q16790 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13056581 0.88 F2 (0.53) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL21124656 0.88 ALDH1A1 (0.51) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL21125205 0.87 F2 (0.52) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL13056582 0.85 F2 (0.50) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL21125049 0.83 ALDH1A1 (0.49) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL16345890 0.79 F2 (0.57) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL16345893 0.79 F2 (0.57) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL13056579 0.79 F2 (0.60) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6151579 0.78 F2 (0.56) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL20610304 0.78 F2 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 ALDH1A1 2096/4885F2 714/4885PRSS1 3861/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG ALDH1A1 3347/4885F2 538/4885PRSS1 4107/4885

“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.