Sugi Predict

Sugi Predict / Compounds / SCHEMBL447724

SCHEMBL447724

SCHEMBL447724

O=C(NO)c1ccc(OC(CNC(=O)c2cc3ccccc3o2)COc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ TP53 P04637 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALPG P10696 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ CYP24A1 Q07973 1/20 0.43

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
SCHEMBL444395 0.83 SMN1; SMN2 (0.56) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL444394 0.83 SMN1; SMN2 (0.56) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL29477231 0.79 HPGD (0.78) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL443041 0.79 HPGD (0.78) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL446620 0.79 HPGD (0.73) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL445825 0.78 HPGD (0.68) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL445824 0.77 TAS1R3 (0.66) SMN1; SMN2HPGDTSHRALDH1A1GAA
SCHEMBL3942749 0.77 TAS1R3 (0.51) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL445518 0.76 TAS1R3 (0.55) SMN1; SMN2HPGDTSHRTP53ALDH1A1
SCHEMBL447570 0.75 TAS1R3 (0.48) SMN1; SMN2HPGDTSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 — — EP claimed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 — — US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 — — US disclosed
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2012-03-15 — — US disclosed
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-06-26 — — 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-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 SMN1; SMN2 2126/4885HPGD 472/4885TSHR 3534/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMN1; SMN2 4315/4885HPGD 122/4885TSHR 3809/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMN1; SMN2 4315/4885HPGD 122/4885TSHR 3809/4885

“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.