SCHEMBL13056592

SCHEMBL13056592

CCN=C=NCCC[N+](C)(C)CCOCCNC(=O)COc1ccccc1C1=Nc2ccccc2NC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HDAC1 Q13547 3/20 0.30
HDAC6 Q9UBN7 3/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL13056595 0.80 ALDH1A1 (0.42) TSHRALDH1A1HPGDHDAC1HDAC6
SCHEMBL13056593 0.79 ALDH1A1 (0.41) TSHRALDH1A1HPGDHDAC1HDAC6
SCHEMBL13056590 0.79 ALDH1A1 (0.43) TSHRALDH1A1HPGDRECQLHDAC1
SCHEMBL13056594 0.76 ALDH1A1 (0.35) TSHRALDH1A1HPGDHDAC1HDAC6
SCHEMBL13056588 0.76 ALDH1A1 (0.46) TSHRALDH1A1HPGD
SCHEMBL13056591 0.74 ALDH1A1 (0.36) TSHRALDH1A1HPGDHDAC1HDAC6
SCHEMBL19721731 0.72 ALDH1A1 (0.37) TSHRALDH1A1HPGD
SCHEMBL13056587 0.72 ALDH1A1 (0.37) TSHRALDH1A1HDAC1HDAC6
SCHEMBL19721730 0.70 ALDH1A1 (0.37) TSHRALDH1A1HPGD
SCHEMBL1754965 0.69 ALDH1A1 (0.55) ALDH1A1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TSHR 119/4885ALDH1A1 2096/4885HPGD 1355/4885
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG TSHR 294/4885ALDH1A1 3347/4885HPGD 1812/4885

“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.