SCHEMBL4095582

SCHEMBL4095582

Nc1nc(-c2ccc(Oc3ccc(O)cc3)cc2)cs1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.83
MKNK1 Q9BUB5 1/20 0.83
MKNK2 Q9HBH9 1/20 0.83
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
ALDH1A1 P00352 7/20 0.65
MAPT P10636 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
POLB P06746 2/20 0.65
KDM4E B2RXH2 4/20 0.56
ATM Q13315 1/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
ALOX5 P09917 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP3A4 P08684 1/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL5321407 0.91 LTA4H (1.00) LTA4HMKNK1MKNK2RAB9ANPC1
SCHEMBL6256294 0.84 RAB9A (1.00) LTA4HMKNK1MKNK2RAB9ANPC1
SCHEMBL3129591 0.83 LTA4H (1.00) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5459815 0.83 RAB9A (0.97) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5464284 0.83 RAB9A (0.97) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5460253 0.81 RAB9A (0.71) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5460208 0.81 RAB9A (0.87) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5456843 0.81 LTA4H (0.97) LTA4HMKNK1MKNK2RAB9ANPC1
Iodide SCHEMBL5455207 0.81 RAB9A (0.90) LTA4HMKNK1MKNK2RAB9ANPC1
SCHEMBL1771825 0.81 ALDH1A1 (0.79) LTA4HMKNK1MKNK2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 LTA4H 511/4885MKNK1 3729/4885MKNK2 3863/4885

“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.