SCHEMBL355862

SCHEMBL355862

Cn1cccc1C(=O)N[C@@H]1CCCc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
CTSS P25774 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TAS1R2 Q8TE23 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BDKRB1 P46663 1/20 0.47
TSHR P16473 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL355827 1.00 HTT (0.52) HTTLMNANPC1RAB9ATAS1R3
SCHEMBL355635 0.90 HDAC6 (0.56) HTTLMNANPC1RAB9ATAS1R3
SCHEMBL10247226 0.90 HDAC6 (0.56) HTTLMNANPC1RAB9ATAS1R3
SCHEMBL355634 0.90 HDAC6 (0.56) HTTLMNANPC1RAB9ATAS1R3
SCHEMBL10247204 0.86 KDM4E (0.47) HTTLMNANPC1RAB9ATAS1R3
SCHEMBL9005561 0.75 KMT2A (0.66) HTTLMNANPC1TAS1R3TAS1R1
SCHEMBL10246988 0.72 LMNA (0.49) HTTLMNATAS1R3TAS1R1ALDH1A1
SCHEMBL10249684 0.72 HTT (0.62) HTTLMNATAS1R3TAS1R1ALDH1A1
SCHEMBL10247155 0.72 LMNA (0.77) HTTLMNANPC1RAB9ATAS1R3
Hydrochloric Acid SCHEMBL354754 0.72 ALDH1A1 (0.45) HTTLMNATAS1R3TAS1R1ALDH1A1

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HTT 113/4885LMNA 1529/4885NPC1 2866/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HTT 50/4885LMNA 2546/4885NPC1 2958/4885

“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.