SCHEMBL7055435

SCHEMBL7055435

Cc1ccc(Oc2c[n+]([O-])ccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
MITF O75030 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.43
TBXA2R P21731 4/20 0.40
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HSPB1 P04792 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL9853789 0.88 MERTK (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL4376514 0.85 LMNA (0.42) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL4375480 0.85 PDE7A (0.49) ALDH1A1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL4377981 0.85 MEN1 (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL9853822 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2MAPK1LMNAMAPT
SCHEMBL9853579 0.79 PIN1 (0.47) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4383031 0.78 EPAS1 (0.44) ALDH1A1MAPK1MAPTKMT2AHSPB1
SCHEMBL2885107 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL9853587 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL8695351 0.76 L3MBTL1 (0.60) ALDH1A1SMN1; SMN2MAPK1LMNAHTT

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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ALDH1A1 153/4885SMN1; SMN2 3305/4885MAPK1 522/4885

“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.