SCHEMBL5025324

SCHEMBL5025324

O=C(NOCc1cccnc1)c1cccc2oc3ccc(I)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAP2K1 Q02750 2/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL5018010 0.89 MAP2K1 (0.37) ALDH1A1HPGDKDM4EMAP2K1MAPT
SCHEMBL5018082 0.88 NPC1 (0.44) GAAALDH1A1HPGDKDM4ENMT2
SCHEMBL5026605 0.85 ALDH1A1 (0.46) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5025403 0.82 NPC1 (0.34) MAP2K1NPC1RAB9A
SCHEMBL5016524 0.77 TDP1 (0.43) ALDH1A1KDM4EPOLBTP53HSD17B10
SCHEMBL5017915 0.74 NPC1 (0.45) ALDH1A1HPGDMAPTPOLBMEN1
SCHEMBL5025239 0.72 NPC1 (0.42) ALDH1A1HPGDKDM4ESMN1; SMN2TP53
SCHEMBL5619680 0.66 MAPT (0.39) MAPTNPC1RAB9A
SCHEMBL5379244 0.66 MEN1 (0.53) MAP2K1TDP1MEN1KMT2A
SCHEMBL5022681 0.65 ALDH1A1 (0.40) GAAALDH1A1HPGDKDM4EMAPT

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 GAA 681/4885ALDH1A1 2372/4885HPGD 807/4885

“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.