SCHEMBL5228972

SCHEMBL5228972

c1ccc(-c2nc3cc(OCC4CO4)ccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
NFKB1 P19838 6/20 0.46
NFKB2 Q00653 6/20 0.46
RELA Q04206 6/20 0.46
PKM P14618 4/20 0.46
HPGD P15428 4/20 0.46
STAT1 P42224 1/20 0.45
PTPN1 P18031 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL5965259 1.00 FGFR1 (0.50) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL5901698 1.00 FGFR1 (0.50) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL8054624 0.87 ALDH1A1 (0.51) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL3960135 0.80 PDE10A (0.51) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL3960133 0.80 PDE10A (0.51) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL5901373 0.80 PDE10A (0.51) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL2140172 0.79 CYP3A4 (0.56) SMN1; SMN2ALDH1A1CYP3A4KDM4ERAB9A
SCHEMBL6287497 0.78 HTT (0.43) FGFR1SRCTDP1SMN1; SMN2ALDH1A1
SCHEMBL17929603 0.76 APP (0.64) GAAGLA
SCHEMBL17929600 0.76 APP (0.64) MEN1KMT2AMAPTGAAGLA

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 FGFR1 1306/4885SRC 3606/4885TDP1 3372/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 FGFR1 2522/4885SRC 4080/4885TDP1 3584/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 FGFR1 2522/4885SRC 4080/4885TDP1 3584/4885

“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.