SCHEMBL5526344

SCHEMBL5526344

O=C[N]c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
TSHR P16473 1/20 0.50
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
IDH1 O75874 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GSTP1 P09211 1/20 0.42
SOS1 Q07889 1/20 0.42
CA9 Q16790 1/20 0.42
PARP10 Q53GL7 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A2 P31213 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
CTRB1 P17538 1/20 0.41
CTRC Q99895 1/20 0.41

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
SCHEMBL2086877 0.79
SCHEMBL5526479 0.76 ALDH1A1 (0.43) TSHRIDH1CA1CA2CA9
SCHEMBL10620953 0.76 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL242048 0.75 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9241081 0.75 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9241077 0.75 LTA4H (0.63) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL5529092 0.74 ALDH1A1 (0.52) TSHRCA1CA2CA9KMT2A
SCHEMBL22129853 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3893562 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL122719 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 LTA4H 828/4885TSHR 3109/4885NR1H2 47/4885

“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.