Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608149

SCHEMBL1608149

SCHEMBL1608149

O=C(NCC(O)Oc1ccccc1)c1cnc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NAMPT P43490 1/20 0.39
▸ HPGDS O60760 3/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1609275 0.78 EGFR (0.41) POLBPRMT5WDR77NPC1RAB9A
SCHEMBL1608350 0.71 HDAC6 (0.60) POLBNAMPTCASP6HTTKMT2A
SCHEMBL15399903 0.70 GAA (0.39) KMT2AL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30569172 0.70 ALDH1A1 (0.51) RAB9AHTTTDP1HDAC6NTRK1
SCHEMBL1607825 0.70 ALDH1A1 (0.51) RAB9AHTTTDP1HDAC6NTRK1
SCHEMBL25278191 0.69 ALDH1A1 (0.42) POLBMAPK1NAMPTHPGDSRAB9A
SCHEMBL13387026 0.69 TDP1 (0.51) POLBNPC1RAB9AHTTKMT2A
SCHEMBL25225300 0.67 ACKR3 (0.38) POLBMAPK1NAMPTHPGDSHTT
SCHEMBL5616823 0.66 NPC1 (0.58) HPGDSNPC1ACKR3
SCHEMBL30369778 0.66 KDR (0.62) NPC1RAB9AKMT2AHDAC6SMN1; SMN2

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-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 POLB 797/4885MAPK1 2557/4885NAMPT 431/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 POLB 797/4885MAPK1 3103/4885NAMPT 348/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 POLB 797/4885MAPK1 2557/4885NAMPT 431/4885

“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.