SCHEMBL3947296

SCHEMBL3947296

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)Nc4ccc5ncccc5c4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 2/20 0.46
PABPC1 P11940 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SERPINE1 P05121 1/20 0.45
NAMPT P43490 2/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL3950164 0.87 BRD4 (0.46) BRD4ALDH1A1LMNASMN1; SMN2TRPV1
SCHEMBL3943577 0.87 MEN1 (0.51) BRD4ALDH1A1TRPV1PABPC1POLB
SCHEMBL3945237 0.87 KMT2A (0.58) BRD4ALDH1A1TRPV1POLBMEN1
SCHEMBL3944412 0.87 BRD4 (0.50) BRD4ALDH1A1TRPV1POLBMEN1
SCHEMBL3940651 0.86 BRD4 (0.52) BRD4ALDH1A1LMNASMN1; SMN2TRPV1
SCHEMBL3947425 0.86 BRD4 (0.53) BRD4ALDH1A1LMNASMN1; SMN2TRPV1
SCHEMBL3940902 0.86 BRD4 (0.49) BRD4ALDH1A1LMNATRPV1POLB
SCHEMBL3943957 0.86 NAMPT (0.61) BRD4ALDH1A1LMNASMN1; SMN2TRPV1
SCHEMBL3943391 0.85 BRD4 (0.52) BRD4ALDH1A1TRPV1POLBMEN1
SCHEMBL3952701 0.84 ALDH1A1 (0.55) BRD4ALDH1A1TRPV1POLBMEN1

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 BRD4 3928/4885ALDH1A1 268/4885LMNA 3432/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 BRD4 3928/4885ALDH1A1 268/4885LMNA 3432/4885

“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.