SCHEMBL13056572

SCHEMBL13056572

CB(O)NCCNC(=O)c1nc2ccccc2nc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
BBOX1 O75936 1/20 0.34
FTO Q9C0B1 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL20355964 0.83 HTT (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL13056570 0.79 NQO2 (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1754974 0.76 BCHE (0.54) NPC1RAB9AMEN1KMT2A
SCHEMBL15294939 0.74 RAB9A (0.51) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL13056575 0.73 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL23308032 0.73 SMN1; SMN2 (0.43) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL13056574 0.71 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL13268043 0.70 MEN1 (0.39) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL18685198 0.70 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2ATML3MBTL1
SCHEMBL42291 0.70 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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-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

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-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG ALDH1A1 3347/4885MAPT 2915/4885SMN1; SMN2 4733/4885

“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.