SCHEMBL6070183

SCHEMBL6070183

CCn1c(CN(c2ccc(C)cc2C)C(Sc2nnc(-c3ccccc3Br)n2C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ PTGES O14684 6/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL6070178 0.81 PTGES (0.55) CYP3A4ALDH1A1PTGESMEN1KMT2A
SCHEMBL4217085 0.69 MAPT (0.55) CYP3A4ALDH1A1PTGESMEN1KMT2A
SCHEMBL4211589 0.69 MEN1 (0.66) ALDH1A1PTGESMEN1KMT2AHTT
SCHEMBL4208410 0.65 PTGES (0.64) ALDH1A1PTGESMEN1KMT2AHTT
SCHEMBL4205329 0.64 PTGES (0.59) CYP3A4ALDH1A1PTGESMEN1KMT2A
SCHEMBL4205367 0.64 CYP3A4 (0.43) CYP3A4ALDH1A1MEN1KMT2AHTT
SCHEMBL4215219 0.63 TSHR (0.69) CYP3A4ALDH1A1PTGESMEN1KMT2A
SCHEMBL4212178 0.63 ALDH1A1 (0.53) CYP3A4ALDH1A1MEN1KMT2AHTT
SCHEMBL4204068 0.62 ALDH1A1 (0.62) CYP3A4ALDH1A1MEN1KMT2AHTT
SCHEMBL4200670 0.62 ALDH1A1 (0.58) ALDH1A1PTGESMEN1KMT2AHTT

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 CYP3A4 323/4885ALDH1A1 253/4885PTGES 644/4885

“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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