SCHEMBL984956

SCHEMBL984956

CCOC(=O)c1cnc(N)c2ncn(CC[S])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
CSNK1D P48730 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
STAT1 P42224 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL984958 0.89 KDM4E (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12794872 0.89 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL986392 0.88 NPC1 (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL986157 0.87 ADORA2A (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL987310 0.87 NPC1 (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27772450 0.85 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12794868 0.82 RAB9A (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL986279 0.80 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL985401 0.72 PDE4B (0.46)
SCHEMBL4791366 0.69 BAZ2B (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 RAB9A 2536/4885NPC1 1155/4885KDM4E 3427/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 RAB9A 1999/4885NPC1 869/4885KDM4E 4433/4885

“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.