SCHEMBL1348700

SCHEMBL1348700

CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ccnc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42
ATP1A2 P50993 1/20 0.42
ATP1B3 P54709 1/20 0.42
FXYD2 P54710 1/20 0.42
ATP1A4 Q13733 1/20 0.42
TACR1 P25103 7/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNN4 O15554 5/20 0.36
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASR P41180 1/20 0.34
OGA O60502 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
SCHEMBL1349865 0.83 MEN1 (0.46) BRD4KDM4EMEN1HPGDKMT2A
SCHEMBL1349694 0.80 BRD4 (0.40) IDO1TDO2BRD4KDM4EMEN1
SCHEMBL1348736 0.77 BRD4 (0.40) BRD4KDM4EMEN1HPGDKMT2A
SCHEMBL1347230 0.74 KMT2A (0.41) TACR1MEN1KMT2A
SCHEMBL20569604 0.70 KDM4E (0.53) BRD4KDM4EMEN1HPGDKMT2A
SCHEMBL1349386 0.68 MAPT (0.49) KDM4EKCNN4MEN1KMT2A
Efetozole SCHEMBL21698044 0.65 BRD4 (0.51) BRD4KDM4EMEN1HPGDKMT2A
Efetozole SCHEMBL2109012 0.65 BRD4 (0.51) BRD4KDM4EMEN1HPGDKMT2A
SCHEMBL12402673 0.64 TACR1 (0.54) TACR1IDO1TDO2
SCHEMBL12154096 0.64 CASR (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US claimed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US claimed
EP-2139489-A2 MINERALOCORTICOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP claimed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 WO claimed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-8063090-B2 Mineralocorticoid receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-11-22 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
WO-2008118319-A2 MINERALOCORTICOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-02 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 (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-20100069452-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 ATP1A1 2718/4885ATP1B1 3524/4885ATP1A3 2587/4885

“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.