SCHEMBL6207604

SCHEMBL6207604

COc1ccc(CC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
VNN1 O95497 1/20 0.55
KMT2A Q03164 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
GSK3B P49841 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL6210030 1.00 RAB9A (0.59) RAB9ANPC1LMNAHTTVNN1
SCHEMBL6738597 0.87 GSK3B (0.63) RAB9ANPC1HTTMAPTALDH1A1
SCHEMBL457954 0.87 NPC1 (0.73) RAB9ANPC1LMNAHTTKMT2A
SCHEMBL4748615 0.84 RAB9A (0.56) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL31357490 0.83 RAB9A (0.64) RAB9ANPC1HTTVNN1MAPT
SCHEMBL1822080 0.82 SMN1; SMN2 (0.54) RAB9ANPC1LMNAHTTVNN1
SCHEMBL1420182 0.81 NPC1 (0.65) RAB9ANPC1LMNAHTTKMT2A
SCHEMBL4748804 0.81 RAB9A (0.62) RAB9ANPC1GSK3B
SCHEMBL3099733 0.81 NPC1 (0.65) RAB9ANPC1LMNAHTTKMT2A
SCHEMBL3097303 0.81 NPC1 (0.65) RAB9ANPC1LMNAHTTKMT2A

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-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 RAB9A 4006/4885NPC1 1686/4885LMNA 2620/4885

“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.