SCHEMBL2229318

SCHEMBL2229318

O=C(O)CCc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
MAPK1 P28482 2/20 0.57
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HDAC1 Q13547 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50

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
SCHEMBL7826728 0.86 LOXL2 (0.64) LMNAMAPK1RAB9ANPC1HDAC1
SCHEMBL2226774 0.81 L3MBTL1 (0.58) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL27047253 0.80 L3MBTL1 (0.57) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL27806755 0.80 KDM4E (0.52) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL9253949 0.80 ITGB3 (0.52) LMNAMAPK1RAB9AL3MBTL1HDAC1
SCHEMBL26104408 0.79 HPGD (0.52) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL2226420 0.78 LOXL2 (0.71) LMNARAB9AL3MBTL1NPC1CASP3
SCHEMBL12844542 0.78 HPGD (0.58) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL10222540 0.78 ALDH1A1 (0.58) LMNAMAPK1RAB9AL3MBTL1NPC1
SCHEMBL2090921 0.78 ALDH1A1 (0.74) LMNARAB9AL3MBTL1NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY LMNA 26/4885MAPK1 4491/4885RAB9A 1528/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY LMNA 26/4885MAPK1 4491/4885RAB9A 1528/4885

“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.