SCHEMBL6050951

SCHEMBL6050951

Oc1ccc(-c2cs[c]n2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.45
EP300 Q09472 2/20 0.37
KAT2B Q92831 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
LDHA P00338 1/20 0.33
CTSB P07858 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
CYP1A2 P05177 1/20 0.31
APP P05067 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9220286 0.79 CYP1A2 (0.45) LMNACYP1A2TDP1KDM4EALDH1A1
SCHEMBL6050927 0.79 CYP1A2 (0.36) LMNACYP1A2HSD17B10
SCHEMBL6050952 0.79
SCHEMBL3858714 0.77 HTR2C (0.40) LMNAMAPTHPGDALOX15TSHR
SCHEMBL5260087 0.76 PTPN22 (0.42) MAPTCYP1A2HSD17B10KDM4EMEN1
SCHEMBL6050917 0.76 AR (0.43)
SCHEMBL21835969 0.75 TYR (0.50) HTTMAPTHPGDKDM4EMEN1
SCHEMBL9362141 0.74 ALDH1A1 (0.38) ESR1ESR2LMNAHTTMAPT
SCHEMBL14754362 0.70 IDO1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL6050925 0.70 ESR1 (0.47) ESR1ESR2MAPTCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 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 (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 IDO1 1849/4885EP300 1536/4885KAT2B 1948/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 IDO1 2108/4885EP300 1543/4885KAT2B 1275/4885

“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.