SCHEMBL6070178

SCHEMBL6070178

CCn1c(CNc2ccc(C)cc2C)nnc1SCc1ccc([N+](=O)[O-])cc1.Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 10/20 0.55
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ USP2 O75604 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL6070183 0.81 CYP3A4 (0.43) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4211589 0.80 MEN1 (0.66) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4205329 0.78 PTGES (0.59) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4208410 0.76 PTGES (0.64) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4213982 0.74 PTGES (0.73) PTGESKMT2AMEN1ALDH1A1MAPT
SCHEMBL4211408 0.73 POLB (0.61) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4215781 0.73 TP53 (0.61) PTGESALDH1A1MAPTPOLB
SCHEMBL4210265 0.73 ALDH1A1 (0.60) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4215219 0.72 TSHR (0.69) PTGESKMT2AMEN1HTTALDH1A1
SCHEMBL4217085 0.72 MAPT (0.55) PTGESKMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HIGH POINT PHARMACEUTICALS, LLC 2006-05-04 — — 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 (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-20060094699-A1 Combination therapy using an 11beta-hydroxysteroid dehydrogenase type 1 inhibitor and a glucocorticoid receptor agonist to minimize the side effects associated with glucocorticoid receptor agonist therapy HSD11B1, HSD17B1, NR3C1 PTGES 644/4885KMT2A 3419/4885MEN1 2970/4885

“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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