SCHEMBL5262076

SCHEMBL5262076

COc1ccc2c(B(O)O)cc(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KDM4E B2RXH2 8/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ HPGD P15428 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ MPO P05164 1/20 0.48
▸ NQO2 P16083 2/20 0.48
▸ RAD52 P43351 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL8139912 0.81 NPSR1 (0.54) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL24009010 0.81 POLB (0.58) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL859440 0.78 MAPT (0.57) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL438970 0.78 NR4A2 (0.60) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL5256820 0.78 NPSR1 (0.54) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL29952206 0.77 HTR1A (0.55) NPSR1KDM4ECYP1A2LMNADYRK1A
SCHEMBL26965977 0.76 KDM4E (0.81) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL26400644 0.75 NPSR1 (0.51) NPSR1KDM4EALDH1A1HPGDPOLB
SCHEMBL5036263 0.74 NCF1 (0.61) NPSR1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL16742685 0.74 ALDH1A1 (0.52) NPSR1KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 — — EP disclosed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 — — US disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 — — US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 — — EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 — — US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 — — 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 (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-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R NPSR1 184/4885KDM4E 3666/4885ALDH1A1 4293/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 NPSR1 183/4885KDM4E 3600/4885ALDH1A1 4566/4885

“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.

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