SCHEMBL2226420

SCHEMBL2226420

NCCc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.71
TAAR1 Q96RJ0 1/20 0.69
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 3/20 0.59
ALOX5 P09917 3/20 0.59
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
AR P10275 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAOB P27338 1/20 0.44
NPY5R Q15761 1/20 0.44
SREBF2 Q12772 1/20 0.44
KMT2A Q03164 2/20 0.43

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
SCHEMBL14672195 0.86 ALDH1A1 (0.62) LOXL2TAAR1RAB9AALDH1A1ALOX5
SCHEMBL12844542 0.83 HPGD (0.58) LOXL2TAAR1RAB9AALDH1A1ALOX5
SCHEMBL2225970 0.83 LOXL2 (0.71) LOXL2TAAR1RAB9AALDH1A1ALOX5
SCHEMBL5658820 0.83 LOXL2 (1.00) LOXL2TAAR1RAB9AALDH1A1NPC1
SCHEMBL19953425 0.83 LOXL2 (1.00) LOXL2TAAR1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL17261468 0.81 TAAR1 (1.00) LOXL2TAAR1RAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL7504450 0.81 TAAR1 (1.00) LOXL2TAAR1RAB9AALDH1A1NPC1
SCHEMBL26104408 0.81 HPGD (0.52) LOXL2TAAR1RAB9AALDH1A1ALOX5
SCHEMBL10222540 0.79 ALDH1A1 (0.58) RAB9AALDH1A1ALOX5HPGDL3MBTL1
SCHEMBL2515676 0.79 RAB9A (0.58) RAB9AALDH1A1ALOX5HPGDL3MBTL1

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 LOXL2 156/4885TAAR1 2250/4885RAB9A 1528/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY LOXL2 156/4885TAAR1 2250/4885RAB9A 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.