SCHEMBL622609

SCHEMBL622609

C=CCn1c(C)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
APOBEC3G Q9HC16 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.45
GFER P55789 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 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
SCHEMBL626382 0.90 MEN1 (0.50) CFTRMEN1KMT2AGAAIRAK4
SCHEMBL6231081 0.84 CFTR (0.47) CFTRMEN1KMT2AIRAK4APOBEC3G
SCHEMBL24900462 0.78 MAPT (0.55) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL6231609 0.78 KMT2A (0.51) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL31441369 0.78 MEN1 (0.71) CFTRMEN1KMT2AGAARAB9A
SCHEMBL28987743 0.78 MEN1 (0.71) CFTRMEN1KMT2AGAARAB9A
SCHEMBL623760 0.76 KDM4E (0.66) KMT2AGAARAB9AL3MBTL1TDP1
SCHEMBL588563 0.76 RAB9A (0.62) MEN1KMT2ARAB9AAPOBEC3GMAPT
SCHEMBL17417874 0.76 MAPT (0.56) CFTRMEN1KMT2ARAB9ATDP1
Ammonia Solution, Strong SCHEMBL20358007 0.75 RAB9A (0.60) MEN1KMT2ARAB9AAPOBEC3GMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 CFTR 4282/4885MEN1 2589/4885KMT2A 2403/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 CFTR 4194/4885MEN1 1034/4885KMT2A 758/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 CFTR 4194/4885MEN1 1034/4885KMT2A 758/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 CFTR 4379/4885MEN1 1105/4885KMT2A 765/4885

“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.