SCHEMBL5033822

SCHEMBL5033822

Cc1ccc(-c2cnco2)cc1-c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
IMPDH2 P12268 13/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL5032059 0.87 IMPDH2 (0.66) IMPDH2LMNAPKMNPC1RAB9A
SCHEMBL14364371 0.84 LMNA (0.47) CYP11B1CYP11B2IMPDH2LMNAPKM
SCHEMBL8227757 0.79 MAP4K4 (0.54) CYP11B1CYP11B2IMPDH2LMNAPKM
SCHEMBL5032038 0.76 IMPDH2 (0.55) IMPDH2LMNAPKMNPC1RAB9A
SCHEMBL4769462 0.75 IL2 (0.61) IMPDH2LMNAPKMNPC1RAB9A
SCHEMBL5130878 0.74 IMPDH2 (0.39) CYP11B1CYP11B2IMPDH2LMNAPKM
SCHEMBL5029427 0.74 IMPDH2 (0.59) IMPDH2LMNAPKMNPC1RAB9A
SCHEMBL5130882 0.74 IMPDH2 (0.39) CYP11B1CYP11B2IMPDH2LMNAPKM
SCHEMBL5027378 0.74 IL2 (0.44) IMPDH2ALDH1A1
SCHEMBL5027352 0.73 IMPDH2 (0.55) IMPDH2LMNAPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
EP-1983971-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007087441-A2 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 CYP11B1 487/4885CYP11B2 881/4885IMPDH2 3907/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 CYP11B1 487/4885CYP11B2 881/4885IMPDH2 3907/4885

“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.