SCHEMBL4086005

SCHEMBL4086005

N#Cc1c[nH]c(-c2nc(C3CCCN(C(=O)c4ccncc4F)C3)no2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
USP30 Q70CQ3 3/20 0.36
JAK1 P23458 1/20 0.35
KCNK3 O14649 1/20 0.35
POLB P06746 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
SCHEMBL4085997 1.00 HSD11B1 (0.42) HSD11B1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL1971398 0.89 HSD11B1 (0.45) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1972208 0.89 HSD11B1 (0.45) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1972896 0.88 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1973243 0.88 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1973695 0.88 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1972958 0.88 HSD11B1 (0.46) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1973245 0.88 HSD11B1 (0.48) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1972748 0.88 HSD11B1 (0.46) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1971420 0.86 HSD11B1 (0.43) HSD11B1MEN1KMT2AALDH1A1LMNA

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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US claimed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 HSD11B1 3461/4885CYP11B1 1834/4885CYP11B2 1780/4885

“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.