SCHEMBL1349511

SCHEMBL1349511

Nc1cccc(Cn2ccnc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PLAU P00749 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL1349653 0.84 KMT2A (0.45) CYP11B1CYP11B2KMT2ACYP1A2CYP2D6
SCHEMBL1347141 0.84 ALDH1A1 (0.48) CYP11B1CYP11B2KMT2ACYP1A2CYP2D6
SCHEMBL5852468 0.83 CYP1A2 (0.56) CYP11B1CYP11B2KMT2ACYP1A2CYP2D6
SCHEMBL1349386 0.81 MAPT (0.49) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL1349836 0.79 ALDH1A1 (0.49) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL1349691 0.78 KMT2A (0.40) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL1347230 0.75 KMT2A (0.41) KMT2ACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4486484 0.75 CYP11B1 (0.51) CYP11B1CYP11B2KMT2ALMNATDP1
SCHEMBL1347052 0.74 CYP1A2 (0.70) CYP11B1CYP11B2KMT2ACYP1A2CYP2D6
SCHEMBL1349551 0.72 ALDH1A1 (0.46) LMNAALDH1A1

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 9 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
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 CYP11B1 8/4885CYP11B2 4/4885KMT2A 2109/4885

“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.