SCHEMBL2762871

SCHEMBL2762871

Nc1nc(-c2csc3ccccc23)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
RAB9A P51151 6/20 0.55
MAPT P10636 5/20 0.55
HSD17B10 Q99714 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
MPL P40238 2/20 0.54
KDM1A O60341 1/20 0.50
NPC1 O15118 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL19626670 0.81 C1S (0.46) ALDH1A1MAPTKDM4EKDM1AC1S
SCHEMBL12592159 0.79 HSD17B10 (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL14988616 0.78 KDM1A (0.64) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL19625513 0.77 C1S (0.44) ALDH1A1MAPTKDM1AC1S
SCHEMBL13513656 0.77 MAPT (0.59) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL713110 0.76 HSD17B10 (0.61) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL13327639 0.76 KDM1A (0.51) ALDH1A1RAB9AMAPTHSD17B10SMN1; SMN2
SCHEMBL4381193 0.76 CYP2A6 (0.54) ALDH1A1MAPTKDM1ALMNACYP2C9
Bromide SCHEMBL8357463 0.75 HSD17B10 (0.59) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL31603870 0.75 KDM1A (0.44) ALDH1A1MAPTHSD17B10KDM4EKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
EP-1283832-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-10-20 EP disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-1575502-B1 COMPOSITIONS AND METHODS INVOLVING NUCLEAR HORMONE RECEPTOR SITE II BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-7132436-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-11-07 US disclosed
US-20030166689-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 CLARIO TECH LIMITED (GB) 2003-09-04 US disclosed
CN-1437588-A 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors BIOVITRUM AB (SE) 2003-08-20 CN 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 (2 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA ALDH1A1 4179/4885MEN1 3339/4885KMT2A 2852/4885
US-20030166689-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 55/4885MEN1 819/4885KMT2A 3304/4885

“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.