SCHEMBL2228639

SCHEMBL2228639

NCC1(c2nc(-c3ccc(F)cc3)cs2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
AR P10275 3/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ALOX5 P09917 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL2225676 0.87 CNR2 (0.45) RAB9AARNPC1ALDH1A1ALOX5
SCHEMBL2224157 0.87 RAB9A (0.49) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2225312 0.87 RAB9A (0.49) RAB9ANPC1ALDH1A1ALOX5MEN1
SCHEMBL2223122 0.87 HDAC4 (0.47) RAB9AARNPC1ALDH1A1MEN1
SCHEMBL2225401 0.87 AR (0.47) RAB9AARNPC1KMT2ALMNA
SCHEMBL2224668 0.86 LTA4H (0.47) RAB9AARNPC1ALDH1A1ALOX5
SCHEMBL2227401 0.84 NPC1 (0.50) RAB9ANPC1ALDH1A1ALOX5MEN1
SCHEMBL2225253 0.84 GAA (0.46) ARMEN1KMT2ACNR1CNR2
SCHEMBL2228209 0.83 ICMT (0.41) RAB9AARNPC1ALDH1A1ALOX5
SCHEMBL2225743 0.77 NPC1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A

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 14 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
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
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
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

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 RAB9A 1528/4885AR 130/4885NPC1 585/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY RAB9A 1528/4885AR 130/4885NPC1 585/4885

“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.