SCHEMBL3943577

SCHEMBL3943577

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)Nc4cccc5ncccc45)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PABPC1 P11940 2/20 0.51
EIF4H Q15056 2/20 0.51
BRD4 O60885 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
SERPINE1 P05121 1/20 0.44
POLB P06746 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLO1 Q04760 1/20 0.42
UQCRB P14927 1/20 0.42

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
SCHEMBL3942207 0.87 BRD4 (0.47) MEN1KMT2APABPC1EIF4HBRD4
SCHEMBL3947296 0.87 BRD4 (0.48) MEN1KMT2APABPC1BRD4TRPV1
SCHEMBL3940651 0.86 BRD4 (0.52) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3940902 0.85 BRD4 (0.49) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3945310 0.85 BRD4 (0.52) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3945664 0.85 BRD4 (0.52) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3945237 0.84 KMT2A (0.58) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3947425 0.84 BRD4 (0.53) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL3943957 0.83 NAMPT (0.61) MEN1KMT2ABRD4TRPV1SERPINE1
SCHEMBL4116635 0.83 BRD4 (0.51) MEN1KMT2ABRD4SERPINE1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 MEN1 712/4885KMT2A 4518/4885PABPC1 1371/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 MEN1 712/4885KMT2A 4518/4885PABPC1 1371/4885

“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.