SCHEMBL5227639

SCHEMBL5227639

COc1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
RAB9A P51151 6/20 0.62
HPGD P15428 5/20 0.62
NPC1 O15118 5/20 0.62
ALDH1A1 P00352 5/20 0.62
TP53 P04637 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HSD17B10 Q99714 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
GLA P06280 1/20 0.62
NR1H4 Q96RI1 1/20 0.55
NPSR1 Q6W5P4 2/20 0.52
PTPN2 P17706 4/20 0.49
PTPN1 P18031 4/20 0.49
PTPN5 P54829 4/20 0.49

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
SCHEMBL4050450 0.84 NPC1 (0.58) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL18470571 0.83 RAB9A (0.65) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL28559369 0.81 SMN1; SMN2 (0.66) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL5371857 0.81 MAPT (0.64) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL5834326 0.81 UTRN (0.55) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL2244350 0.81 NPC1 (0.65) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL2245027 0.81 RAB9A (0.69) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL5228147 0.81 ESR1 (0.60) UTRNRAB9APTPN2PTPN1PTPN5
SCHEMBL5227331 0.80 UTRN (0.54) UTRNSMN1; SMN2RAB9AHPGDNPC1
SCHEMBL5226589 0.78 NPC1 (0.68) UTRNSMN1; SMN2RAB9AHPGDNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 UTRN 3383/4885SMN1; SMN2 1222/4885RAB9A 2974/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885SMN1; SMN2 1073/4885RAB9A 2107/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885SMN1; SMN2 1073/4885RAB9A 2107/4885

“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.