SCHEMBL5995331

SCHEMBL5995331

c1ccc(-c2nc3cc(OC[C@H]4CO4)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
SCHEMBL5227432 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 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 (1 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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD ACSL1 233/4885FGFR1 2356/4885SRC 4572/4885

“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.