SCHEMBL4137985

SCHEMBL4137985

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(C(=O)N[C@H]4CCC[C@H]4O)c(-c4ccoc4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
IKBKB O14920 1/20 0.35

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
SCHEMBL4137983 1.00 HTR1A (0.37) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL3955418 0.89 SERPINE1 (0.43) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL3955415 0.89 SERPINE1 (0.43) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL4139291 0.88 CNR1 (0.41) HTR6HDAC3HDAC11HDAC8HDAC6
SCHEMBL4139293 0.88 CNR1 (0.41) HTR6HDAC3HDAC11HDAC8HDAC6
SCHEMBL4139174 0.87 ALDH1A1 (0.36) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL4139170 0.87 ALDH1A1 (0.36) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL4148534 0.87 NR3C1 (0.39) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL4148533 0.87 NR3C1 (0.39) HTR1AHTR1DHTR1BHTR6ALDH1A1
SCHEMBL4139287 0.86 KIT (0.39) HTR1AHTR1DHTR1BHTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 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 (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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 HTR1A 769/4885HTR1D 1605/4885HTR1B 1069/4885

“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.