SCHEMBL2408261

SCHEMBL2408261

Cc1cc(C(=O)NC(C)c2cccc(C(=O)NO)c2)c(C)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
CYP26A1 O43174 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12279819 0.78 ALDH1A1 (0.57) ALDH1A1PKMSMN1; SMN2NPC1HDAC8
SCHEMBL6919150 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10SMN1; SMN2HPGDHDAC8
SCHEMBL2406339 0.77 HDAC1 (0.58) ALDH1A1MAPTHSD17B10HTTPKM
SCHEMBL6919822 0.76 ALDH1A1 (0.46) ALDH1A1HDAC8HDAC6CNR1CNR2
SCHEMBL2408761 0.76 L3MBTL1 (0.48) ALDH1A1MAPTHDAC8HDAC6KDM4E
SCHEMBL2412921 0.76 LMNA (0.57) ALDH1A1HSD17B10NPSR1HPGDHDAC8
SCHEMBL16330335 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10PKMSMN1; SMN2NPC1
SCHEMBL2408114 0.75 ATM (0.46) ALDH1A1SMN1; SMN2RAB9AHDAC8HDAC6
SCHEMBL2408356 0.74 NPC1 (0.48) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL2407349 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC8HDAC6CA2

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885MAPT 2484/4885HSD17B10 86/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALDH1A1 1696/4885MAPT 2484/4885HSD17B10 86/4885

“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.