SCHEMBL5526355

SCHEMBL5526355

COC(=O)c1ccc(C)c(-c2ccc(NC(=O)Nc3ncccc3C)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
POLB P06746 1/20 0.53
PDGFRB P09619 2/20 0.52
KDR P35968 2/20 0.52
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.48
PPIA P62937 2/20 0.47
ABL1 P00519 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
SCHEMBL5030786 0.87 MAPT (0.55) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5033860 0.84 KDR (0.51) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5032072 0.84 PDGFRB (0.63) RAB9ANPC1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL5029490 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KDM4ENPSR1
SCHEMBL5030839 0.78 MAPT (0.52) RAB9ANPC1SMN1; SMN2KDM4ECYP2C9
SCHEMBL5033837 0.78 IL2 (0.59) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5032048 0.78 MAPT (0.51) RAB9ANPC1SMN1; SMN2KDM4ECYP2C9
SCHEMBL28698556 0.77 RAB9A (0.83) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL29376720 0.77 RAB9A (0.83) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5030804 0.77 IMPDH2 (0.55) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US claimed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
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
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US 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 RAB9A 1795/4885NPC1 634/4885SMN1; SMN2 4703/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 RAB9A 1795/4885NPC1 634/4885SMN1; SMN2 4703/4885

“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.