SCHEMBL934852

SCHEMBL934852

Cc1[nH]c2c(c1C)C(=O)CCC2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.61
TSHR P16473 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
BRD4 O60885 10/20 0.40
DYRK1A Q13627 1/20 0.40
KCNA5 P22460 1/20 0.38
CREBBP Q92793 1/20 0.37

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
SCHEMBL9802964 0.82 PTK2 (0.59) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL7683020 0.80 PTK2 (0.57) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL15592920 0.77 PTK2 (0.54) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL6907631 0.77 PTK2 (0.46) PTK2TSHRL3MBTL1LMNABRD4
SCHEMBL2077313 0.76 PTK2 (1.00) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL11265654 0.73 BRD4 (0.61) PTK2TSHRL3MBTL1LMNARAB9A
SCHEMBL9802765 0.71 PTK2 (0.47) PTK2TSHRL3MBTL1LMNAALDH1A1
SCHEMBL7690471 0.70 CDC7 (0.66) PTK2TSHRL3MBTL1BRD4
Pyrrole SCHEMBL9107990 0.70 KCNA5 (0.45) PTK2TSHRL3MBTL1LMNABRD4
SCHEMBL7052350 0.70 TSHR (0.74) PTK2TSHRL3MBTL1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
EP-2771321-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2014-09-03 EP disclosed
CN-103906732-A Hydroxamate derivatives for hdac inhibitor, and the pharmaceutical composition comprising thereof CHONG KUN DANG PHARM CORP 2014-07-02 CN disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO disclosed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 PTK2 2380/4885TSHR 2631/4885L3MBTL1 4194/4885

“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.