SCHEMBL5748571

SCHEMBL5748571

Cc1cccc(-c2cc3cnccc3nc2NC(=O)NC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.46
EPHX1 P07099 3/20 0.44
BRAF P15056 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5747463 0.91 EPHX1 (0.46) NPC1RAB9APOLBEPHX1GAA
SCHEMBL5750876 0.86 ALDH1A1 (0.38) NPC1RAB9ALMNATP53THRB
SCHEMBL5747448 0.85 NPC1 (0.45) NPC1RAB9APOLBEPHX1GAA
SCHEMBL5866725 0.84 IMPDH2 (0.45) GAA
SCHEMBL5748810 0.83 NPC1 (0.50) NPC1RAB9APOLBEPHX1GAA
SCHEMBL5750018 0.82 POLB (0.47) NPC1RAB9APOLBEPHX1BRAF
SCHEMBL5750157 0.81 FGFR1 (0.56)
SCHEMBL5748453 0.81 FGFR1 (0.56)
SCHEMBL5749355 0.80 LMNA (0.49) NPC1RAB9APOLBEPHX1LMNA
SCHEMBL5750533 0.79 TYK2 (0.53) NPC1RAB9APOLBEPHX1GAA

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 2298/4885POLB 3228/4885

“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.