SCHEMBL2224811

SCHEMBL2224811

N#CC1(c2nc(-c3ccc(Cl)cc3)cs2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 3/20 0.42
KMT2A Q03164 2/20 0.40
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.39
MAOA P21397 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
IGF1R P08069 1/20 0.38
KDR P35968 1/20 0.38
ERBB4 Q15303 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL2226898 0.87 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1ALOX5
SCHEMBL2224539 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL2221989 0.87 AR (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2227189 0.87 AR (0.47) RAB9ANPC1SMN1; SMN2KMT2ACNR1
SCHEMBL2225142 0.84 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2225439 0.84 L3MBTL1 (0.45) RAB9ANPC1ALDH1A1ALOX5KMT2A
SCHEMBL2224556 0.80 CNR2 (0.45) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL2227668 0.78 KDM4E (0.44) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL2225312 0.77 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL2227233 0.76 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 13 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-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
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 RAB9A 1528/4885NPC1 585/4885SMN1; SMN2 3005/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY RAB9A 1528/4885NPC1 585/4885SMN1; SMN2 3005/4885

“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.