SCHEMBL5227432

SCHEMBL5227432

c1ccc(-c2nc3cc(OCC4CO4)ccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.53
FGFR1 P11362 1/20 0.51
SRC P12931 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP6 Q9GZR1 3/20 0.50
HPGD P15428 3/20 0.50
SENP8 Q96LD8 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
TP53 P04637 3/20 0.49
CYP3A4 P08684 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 3/20 0.48

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
SCHEMBL5995331 1.00 ACSL1 (0.53) ACSL1FGFR1SRCSMN1; SMN2RAB9A
SCHEMBL6284582 0.88 CETP (0.51) SMN1; SMN2RAB9AKDM4ENPC1CASP3
SCHEMBL6286299 0.87 UTRN (0.52) ACSL1FGFR1SRCSMN1; SMN2RAB9A
SCHEMBL6448244 0.86 HDAC6 (0.52) TSHRHSD17B10HDAC6PTPN2PTPN1
SCHEMBL17929621 0.85 RXFP1 (0.55) SMN1; SMN2RAB9AKDM4ENPC1CASP3
SCHEMBL17929619 0.85 MAPT (0.47) SMN1; SMN2KDM4EHPGDTSHRTP53
SCHEMBL17929618 0.85 MAPT (0.47) SMN1; SMN2KDM4EHPGDTSHRTP53
SCHEMBL5230999 0.85 UTRN (0.52) FGFR1SRCSMN1; SMN2RAB9ANPC1
SCHEMBL17929620 0.85 RXFP1 (0.55) SMN1; SMN2RAB9AKDM4ENPC1CASP3
SCHEMBL5227331 0.84 UTRN (0.54) FGFR1SRCSMN1; SMN2RAB9AKDM4E

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 13 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-6930111-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2005-08-16 US disclosed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 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
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP 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
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 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-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 WO 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 (4 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 ACSL1 9/4885FGFR1 1306/4885SRC 3606/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 ACSL1 161/4885FGFR1 2522/4885SRC 4080/4885
US-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP ACSL1 281/4885FGFR1 3523/4885SRC 4746/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 ACSL1 161/4885FGFR1 2522/4885SRC 4080/4885

“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.