SCHEMBL2407149

SCHEMBL2407149

C[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccc(C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
HDAC1 Q13547 5/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
MTOR P42345 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 3/20 0.44
TRPV1 Q8NER1 1/20 0.42
ALOX5 P09917 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2405446 1.00 NPC1 (0.48) NPC1HDAC1HDAC8HDAC6MTOR
SCHEMBL2407550 0.87 HDAC1 (0.58) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL2408793 0.86 SMN1; SMN2 (0.56) NPC1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2404844 0.85 ANPEP (0.53) NPC1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2409076 0.81 MTOR (0.73) NPC1HDAC1HDAC6MTORALDH1A1
SCHEMBL2408891 0.80 KMT2A (0.56) NPC1HDAC1HDAC8HDAC6MTOR
SCHEMBL2406106 0.80 MTOR (0.50) NPC1HDAC1HDAC8HDAC6MTOR
SCHEMBL2405281 0.79 ALDH1A1 (0.65) NPC1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2407916 0.79 ALDH1A1 (0.65) NPC1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2407104 0.79 ALDH1A1 (0.65) NPC1HDAC1HDAC8HDAC6ALDH1A1

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
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
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

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 NPC1 3704/4885HDAC1 3/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 NPC1 3704/4885HDAC1 3/4885HDAC8 15/4885

“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.