SCHEMBL13424964

SCHEMBL13424964

Cc1cc(-c2nc(-c3ccc(CCC(=O)NC(CO)CO)cc3)no2)cc(CC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.47
S1PR3 Q99500 9/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR5 Q9H228 7/20 0.40
S1PR4 O95977 5/20 0.40
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3227185 0.91 S1PR1 (0.48) S1PR1S1PR3KDM4EMEN1MAPT
SCHEMBL13424962 0.87 S1PR1 (0.49) S1PR1S1PR3KDM4EMEN1NPC1
SCHEMBL3212083 0.80 S1PR1 (0.50) S1PR1S1PR3KDM4EMEN1MAPT
SCHEMBL3218653 0.80 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4
SCHEMBL1424823 0.74 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9AS1PR5
SCHEMBL3732206 0.73 S1PR1 (0.51) S1PR1S1PR3KDM4EMEN1MAPT
SCHEMBL3208492 0.72 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4
SCHEMBL3210670 0.71 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4
SCHEMBL14272872 0.71 ALDH1A1 (0.34) KMT2A
SCHEMBL3223686 0.71 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4

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-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 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 (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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 S1PR1 96/4885S1PR3 102/4885KDM4E 614/4885

“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.