SCHEMBL331602

SCHEMBL331602

O=[N+]([O-])c1ccccc1C1=CC=CCC1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
PTPN1 P18031 1/20 0.44
HSD17B10 Q99714 2/20 0.43
S100A4 P26447 2/20 0.37
PTPRC P08575 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 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
SCHEMBL11667714 0.87 S100A4 (0.44) ALDH1A1TDP1HSD17B10S100A4PTPRC
SCHEMBL11659636 0.81 TDP1 (0.41) ALDH1A1TDP1S100A4PTPRCLMNA
SCHEMBL11661848 0.81 TSHR (0.33) ALDH1A1TDP1HSD17B10MAPTKMT2A
SCHEMBL11660608 0.81 MAPT (0.39) ALDH1A1TDP1HSD17B10MAPTL3MBTL1
SCHEMBL11664823 0.75 PTPRC (0.44) ALDH1A1TDP1HSD17B10S100A4PTPRC
SCHEMBL16131477 0.73 PTPN1 (0.40) ALDH1A1TDP1PTPN1HSD17B10S100A4
SCHEMBL8075442 0.73
SCHEMBL1287837 0.70 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1HSD17B10S100A4
SCHEMBL30535903 0.70 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1HSD17B10S100A4
SCHEMBL11665729 0.69 CYP19A1 (0.42) ALDH1A1TDP1LMNAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172273-A1 CYCLOTETRAPEPTIDES WITH PRO-ANGIOGENIC PROPERTIES GENETADI BIOTECH, S.L. (ES) 2013-07-04 US disclosed
EP-2593471-A1 CYCLOTETRAPEPTIDES WITH PRO-ANGIOGENIC PROPERTIES GENETADI Biotech, S.L. (ES) 2013-05-22 EP disclosed
WO-2012007562-A1 CYCLOTETRAPEPTIDES WITH PRO-ANGIOGENIC PROPERTIES GENETADI BIOTECH, S.L. (ES) 2012-01-19 WO disclosed
EP-2407478-A1 New cyclotetrapeptides with pro-angiogenic properties GENETADI Biotech, S.L. (ES) 2012-01-18 EP disclosed
US-4068298-A Information storage and retrieval system SYSTEMS DEVELOPMENT CORPORATION (US) 1978-01-10 US 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-20130172273-A1 CYCLOTETRAPEPTIDES WITH PRO-ANGIOGENIC PROPERTIES FLT1, TIE1, VIP ALDH1A1 1840/4885TDP1 3930/4885PTPN1 4266/4885

“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.