SCHEMBL2227401

SCHEMBL2227401

COc1ccc(-c2csc(C3(CN)CCOCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 3/20 0.50
LTA4H P09960 1/20 0.47
MEN1 O00255 6/20 0.44
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
OPRK1 P41145 1/20 0.43
ATM Q13315 1/20 0.42
PTGS2 P35354 1/20 0.42
GAA P10253 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL2224157 0.84 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2225312 0.84 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2228639 0.84 RAB9A (0.49) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL2225401 0.84 AR (0.47) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL2223122 0.84 HDAC4 (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2224668 0.81 LTA4H (0.47) NPC1RAB9AALDH1A1LTA4HMEN1
SCHEMBL2225253 0.81 GAA (0.46) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2225142 0.79 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2771855 0.79 CNR1 (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6525380 0.78 CNR1 (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 16 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
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 NPC1 585/4885RAB9A 1528/4885MAPT 4479/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY NPC1 585/4885RAB9A 1528/4885MAPT 4479/4885

“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.