SCHEMBL7586850

SCHEMBL7586850

COC(=O)c1c(C)c(-c2cccnc2)n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.52
PPARG P37231 3/20 0.52
NCOR2 Q9Y618 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NR2E3 Q9Y5X4 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
IDO1 P14902 4/20 0.50
USP2 O75604 1/20 0.50
PABPC1 P11940 1/20 0.47
CYP11B2 P19099 2/20 0.45
NR4A2 P43354 1/20 0.45
SLC2A1 P11166 1/20 0.45

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
Methane SCHEMBL7588227 0.99 MAPT (0.51) MAPTMEN1KMT2AALDH1A1PPARG
SCHEMBL7855338 0.86 CYP11B2 (0.48) MAPTMEN1KMT2AALDH1A1PPARG
SCHEMBL7584938 0.85 CYP11B2 (0.47) LMNACYP11B2CYP11B1TBXAS1
SCHEMBL7588234 0.81 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL15074528 0.75 MAPK1 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7590158 0.74 CYP11B2 (0.56) ALDH1A1KDM4EMAPK1CYP11B2CYP11B1
SCHEMBL7587012 0.73 MKNK1 (0.46) MAPTMEN1KMT2AALDH1A1PPARG
SCHEMBL27860649 0.72 IDO1 (0.52) MAPTMEN1KMT2AALDH1A1PPARG
SCHEMBL7589148 0.71 CYP11B2 (0.48) ALDH1A1KDM4EIDO1CYP11B2CYP11B1
SCHEMBL7953609 0.71 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1MAPK1

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US claimed
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 MAPT 3699/4885MEN1 4597/4885KMT2A 3711/4885

“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.