SCHEMBL10144834

SCHEMBL10144834

COc1cc(C(=O)NC2CCN(c3ccc(C(=O)NOC4CCCCO4)cn3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.44
▸ USP30 Q70CQ3 3/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ PDGFRA P16234 2/20 0.40
▸ KARS1 Q15046 2/20 0.40
▸ RET P07949 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ DNMT1 P26358 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL10144874 0.84 HDAC6 (0.50) HPGDSUSP30ALDH1A1TSHRDHODH
SCHEMBL10144833 0.84 ALOX15 (0.49) USP30PDGFRAKARS1KITALDH1A1
SCHEMBL10144828 0.80 P2RY12 (0.50) USP30
SCHEMBL12017426 0.77 RAB9A (0.52) HPGDSUSP30ALDH1A1HPGDTSHR
SCHEMBL20460359 0.74 ALOX15 (0.63) DHODH
SCHEMBL9883399 0.74 HPGD (0.50) HPGDSUSP30DRD2HTR2ADRD3
SCHEMBL12295609 0.74 HPGDS (0.56) HPGDSUSP30ALDH1A1HPGDHDAC1
SCHEMBL20460316 0.72 ALOX15 (0.63) DHODH
SCHEMBL8347463 0.70 DRD4 (0.48) —
SCHEMBL10194572 0.70 F10 (0.45) HPGDSALDH1A1HPGDHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 — — US disclosed
US-8394831-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2013-03-12 — — US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 — — US disclosed
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA, NV (BE) 2012-02-16 — — US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 — — US disclosed
US-8071615-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-06 — — US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 — — US disclosed
US-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VAN EMELEN KRISTOF 2009-02-12 — — US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 — — US disclosed
US-7446109-B2 Carbonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 — — 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-20090042920-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HPGDS 2493/4885USP30 964/4885DRD2 3188/4885
US-20120041001-A1 CARBONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 HPGDS 2493/4885USP30 964/4885DRD2 3188/4885

“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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