SCHEMBL768816

SCHEMBL768816

O=S(=O)(NCc1cncc(Br)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
SLC22A12 Q96S37 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.34
FFAR2 O15552 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
CYP19A1 P11511 1/20 0.33
PPARA Q07869 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1606249 0.79 CYP11B2 (0.43) HTTKMT2AKDM4ESMN1; SMN2CYP19A1
SCHEMBL768748 0.78 CYP11B2 (0.46) MEN1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL30417046 0.78 CYP11B2 (0.46) MEN1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL139610 0.76 CYP19A1 (0.50) CA2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL748924 0.75 SMN1; SMN2 (0.37) MEN1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL9289504 0.75 CYP11B2 (0.43) HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL1607471 0.74 SMN1; SMN2 (0.35) MEN1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL7419389 0.73 CYP1A2 (0.53) KMT2A
SCHEMBL7426091 0.71 CA2 (0.60) CA2HTTSMN1; SMN2PPARA
SCHEMBL15301629 0.69 KDM4E (0.41) HTTKDM4ESMN1; SMN2

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-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140275175-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8778972-B2 5-pyridin-3-yl-1, 3-dihydro-indol-2-on derivatives and their use as modulators of aldosterone synthase and/or CYP11B1 NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2012-03-22 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-20140275175-A1 ORGANIC COMPOUNDS CYP11B2, CYP11B1, SLCO1B1 CA2 516/4885SLC22A12 626/4885MEN1 1537/4885
US-20120071512-A1 5-PYRIDIN-3-YL-1, 3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 CYP11B1, HSD11B1, CYP11B2 CA2 1466/4885SLC22A12 2994/4885MEN1 1681/4885

“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.