SCHEMBL5041901

SCHEMBL5041901

Nc1nc(Cc2ccc(Br)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NOS1 P29475 1/20 0.49
EPHX2 P34913 1/20 0.47
LTA4H P09960 6/20 0.46
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL5149718 0.85 NOS1 (0.51) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL623682 0.82 NPC1 (0.59) RAB9ANPC1MAPTNOS1LTA4H
SCHEMBL30513256 0.82 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL1915556 0.81 NOS1 (0.71) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL27603499 0.80 NOS1 (0.50) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL1136768 0.79 CYP17A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL13148615 0.79 KMT2A (0.59) MAPTSMN1; SMN2EPHX2
SCHEMBL1136660 0.78 LTA4H (0.68) RAB9ANPC1MAPTSMN1; SMN2LTA4H
SCHEMBL28306246 0.78 NOS1 (0.45) RAB9ANPC1MAPTSMN1; SMN2NOS1
SCHEMBL14489267 0.77 NOS1 (0.44) RAB9ANPC1MAPTSMN1; SMN2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7569689-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569689-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1708699-A4 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-11-28 EP disclosed
EP-1708699-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
US-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US disclosed
WO-2005072729-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 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-20050182110-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof NR3C1, NFRKB, NCOR1 RAB9A 2116/4885NPC1 614/4885MAPT 4342/4885

“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.