Methane

Methane

SCHEMBL5476423

C.Nc1ccc(-c2nc3cc(CC(=O)O)ccc3o2)cc1

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 13/20 0.70
▸ RAB9A P51151 5/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ TP53 P04637 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ NFKB2 Q00653 1/20 0.66
▸ RELA Q04206 1/20 0.66
▸ GFER P55789 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ GAA P10253 1/20 0.55
▸ MCL1 Q07820 1/20 0.53
▸ ATM Q13315 1/20 0.53

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
SCHEMBL5461475 0.99 HPSE (0.72) HPSERAB9ANPC1MAPTKDM4E
Methane SCHEMBL506232 0.87 HPSE (0.70) HPSEMAPTKDM4ETP53SMN1; SMN2
Methane SCHEMBL505763 0.87 HPSE (0.70) HPSERAB9ANPC1MAPTKDM4E
SCHEMBL507169 0.87 KDM4E (0.77) HPSERAB9ANPC1KDM4EALDH1A1
Methane SCHEMBL25304065 0.86 HPSE (0.69) HPSERAB9ANPC1MAPTKDM4E
SCHEMBL11626342 0.86 HPSE (0.72) HPSERAB9ANPC1MAPTKDM4E
SCHEMBL9820079 0.86 HPSE (0.72) HPSEMAPTKDM4ETP53SMN1; SMN2
SCHEMBL14581706 0.85 HPSE (0.70) HPSERAB9ANPC1KDM4EGAA
SCHEMBL6818285 0.84 NPC1 (0.67) HPSERAB9ANPC1MAPTKDM4E
SCHEMBL20515142 0.82 HPSE (1.00) HPSERAB9ANPC1KDM4E

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-20070043003-A1 Novel compounds for the prophylaxis and treatment of inflammatory bowel diseases HIKMA PHARMACEUTICALS CO., LTD. (JO) 2007-02-22 — — US disclosed
EP-1688413-A1 Benzoxazole derivatives for the prophylaxis and treatment of inflammatory bowel diseases Hikma Pharmaceuticals Co. Ltd. (JO) 2006-08-09 — — EP 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-20070043003-A1 Novel compounds for the prophylaxis and treatment of inflammatory bowel diseases SI, ALPI, VIP HPSE 811/4885RAB9A 978/4885NPC1 4390/4885

“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.

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