SCHEMBL5017938

SCHEMBL5017938

O=C(NOC(c1ccncc1)C1CC1)c1cccc2oc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 4/20 0.37
GLA P06280 1/20 0.36
NPC1 O15118 4/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
RAB9A P51151 3/20 0.33
PTGS2 P35354 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR3A P46098 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL5023258 0.89 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5618235 0.69 SLC6A4 (0.35) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6238717 0.69 ALDH1A1 (0.53) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5022681 0.65 ALDH1A1 (0.40) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5618150 0.64 SMN1; SMN2 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL30476189 0.64 ALDH1A1 (0.76) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2012858 0.64 ALDH1A1 (0.76) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL11401526 0.64 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL19760841 0.63 KDM4E (0.54) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5023416 0.63 CYP19A1 (0.50) LMNAKDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 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 (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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 LMNA 2873/4885KDM4E 4205/4885ALDH1A1 2372/4885

“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.