SCHEMBL6738412

SCHEMBL6738412

Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc(OCc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
CYP19A1 P11511 11/20 0.45
AR P10275 2/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL27559091 0.99 MEN1 (0.45) MEN1KMT2AMAPTCYP19A1AR
SCHEMBL6736474 0.90 MEN1 (0.46) MEN1KMT2AMAPTCYP19A1AR
SCHEMBL6738421 0.85 CYP19A1 (0.44) MEN1KMT2AMAPTCYP19A1AR
SCHEMBL6660357 0.83 MAPT (0.49) MEN1KMT2AMAPTCYP19A1POLB
SCHEMBL8799741 0.81 MEN1 (0.47) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL27559095 0.81 AR (0.50) MEN1KMT2AMAPTCYP19A1AR
SCHEMBL6736399 0.78 NT5E (0.40) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL344718 0.77 ALOX5 (0.50) MEN1KMT2AARLMNA
SCHEMBL31440585 0.76 MAPT (0.53) MEN1KMT2AMAPTCYP19A1AR
SCHEMBL7201567 0.74 CYP19A1 (0.43) MEN1KMT2AMAPTCYP19A1AR

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-6790978-B2 4-HYDROXY-3-ARYLSULFONYL, 3-AMINOSULFONYL OR 3-AMINOCARBONYL-PHENOXYANILINOCARBONYL-OPTIONAL ALKYLENE-CARBOXYLIC ACID OR CARBONYL-5-TETRAZOLES NOVARTIS AG (CH) 2004-09-14 US disclosed
US-6689896-B2 AMIC ACID DERIVATIVES NOVARTIS AG (CH) 2004-02-10 US disclosed
US-6599942-B1 Method of lowering LDL cholesterol and Lipoprotein a levels in mammals using such compounds NOVARTIS AG (CH) 2003-07-29 US disclosed
US-20020107390-A1 Thyromimetic organic compounds KUKKOLA PAIVI J (US) 2002-08-08 US disclosed
US-20020045751-A1 Thyromimetic organic compounds NOVARTIS AG (CH) 2002-04-18 US disclosed
EP-1165502-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2002-01-02 EP disclosed
WO-2000058279-A1 DIARYL DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-10-05 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-20020045751-A1 Thyromimetic organic compounds TPO, THRA, LPO MEN1 2950/4885KMT2A 2116/4885MAPT 3417/4885
US-20020107390-A1 Thyromimetic organic compounds TSHR, NR1H3, NR1H2 MEN1 4133/4885KMT2A 3493/4885MAPT 4695/4885

“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.