SCHEMBL5748810

SCHEMBL5748810

O=C(Nc1nc2ccncc2cc1-c1ccc(F)c(F)c1)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.45
EPHX1 P07099 3/20 0.45
POLB P06746 2/20 0.44
EPHX2 P34913 3/20 0.42
AAK1 Q2M2I8 1/20 0.42
KMT2A Q03164 2/20 0.41
PRMT3 O60678 2/20 0.41
MEN1 O00255 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 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
SCHEMBL5747419 0.86 CYP11B1 (0.38) NPC1RAB9ASMN1; SMN2GAAAAK1
SCHEMBL5747463 0.84 EPHX1 (0.46) NPC1RAB9ASMN1; SMN2GAAEPHX1
SCHEMBL5748571 0.83 NPC1 (0.51) NPC1RAB9AGAAEPHX1POLB
SCHEMBL5750018 0.82 POLB (0.47) NPC1RAB9ASMN1; SMN2GAAEPHX1
SCHEMBL5750779 0.82 FGFR1 (0.43) CYP11B1CYP11B2
SCHEMBL5750533 0.81 TYK2 (0.53) NPC1RAB9ASMN1; SMN2GAAEPHX1
SCHEMBL5750480 0.80 KMT2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5749722 0.80 FGFR1 (0.51)
SCHEMBL5795935 0.80 FGFR1 (0.51)
SCHEMBL5747448 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR NPC1 2798/4885RAB9A 2298/4885SMN1; SMN2 2273/4885

“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.