SCHEMBL13248341

SCHEMBL13248341

CC(=O)NCCOCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ADRA1A P35348 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MTNR1A P48039 4/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL19732507 0.91 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTADRA1AALDH1A1
SCHEMBL13248325 0.91 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL19732579 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL18532465 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL22202997 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL12197747 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL13056639 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL19732577 0.89 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTMTNR1AMTNR1B
SCHEMBL2615833 0.86 ADRA1A (0.47) SMN1; SMN2HPGDHTTADRA1AEPHX2
SCHEMBL2615840 0.86 ADRA1A (0.47) SMN1; SMN2HPGDHTTADRA1AEPHX2

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 4 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-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 (1 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 4773/4885HPGD 1355/4885HTT 1587/4885

“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.

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