SCHEMBL2222389

SCHEMBL2222389

NCCc1nc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.45
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
ROCK2 O75116 1/20 0.42
CSNK1D P48730 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RET P07949 2/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.39
LMNA P02545 1/20 0.38
DPP4 P27487 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL2227964 0.83 RET (0.59) AOC3MAOBNR1H2NR1H3NPC1
SCHEMBL2228226 0.83 NR1H2 (0.62) NR1H2NR1H3NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL14736775 0.81 NR1H2 (0.60) NR1H2NR1H3NPC1RAB9APOLB
SCHEMBL7910285 0.81 ROCK2 (0.56) NR1H2NR1H3ROCK2PDE10A
SCHEMBL7658956 0.81 DDX3X (0.50) AOC3NR1H2NR1H3NPC1RAB9A
Hydrochloric Acid SCHEMBL14736164 0.80 ROCK2 (0.55) NR1H2NR1H3ROCK2PDE10A
SCHEMBL22290225 0.79 NR1H2 (0.46) NR1H2NR1H3NPC1RAB9APOLB
SCHEMBL2221940 0.75 RAB9A (0.44) AOC3NR1H2NR1H3NPC1RAB9A
SCHEMBL2221104 0.75 NR1H2 (0.41) NR1H2NR1H3NPC1RAB9APOLB
SCHEMBL14736431 0.73 SMN1; SMN2 (0.55) NR1H2NR1H3LMNAPDE10A

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 22 patents — showing the first 20. 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
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088187-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 (3 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 AOC3 454/4885MAOB 269/4885IDO1 2160/4885
US-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AOC3 337/4885MAOB 242/4885IDO1 2055/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY AOC3 454/4885MAOB 269/4885IDO1 2160/4885

“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.