SCHEMBL4841961

SCHEMBL4841961

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3cccc(OC(F)(F)F)c3)cc1)NC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
PTPN1 P18031 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ABL1 P00519 1/20 0.44
AR P10275 1/20 0.43
BRAF P15056 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL4841947 1.00 RAB9A (0.49) RAB9ANPC1PTPN1MEN1KMT2A
SCHEMBL4837792 0.94 KMT2A (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4837807 0.94 KMT2A (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4838274 0.94 NPC1 (0.52) RAB9ANPC1PTPN1MEN1KMT2A
SCHEMBL4838287 0.94 NPC1 (0.52) RAB9ANPC1PTPN1MEN1KMT2A
SCHEMBL4840565 0.93 NPC1 (0.51) RAB9ANPC1ABL1
SCHEMBL4840584 0.93 NPC1 (0.51) RAB9ANPC1ABL1
SCHEMBL4841836 0.90 PLG (0.50) PTPN1TP53MAPK1KDM4EBRAF
SCHEMBL4841846 0.90 PLG (0.50) PTPN1TP53MAPK1KDM4EBRAF
SCHEMBL4839923 0.89 NPC1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 RAB9A 2220/4885NPC1 985/4885PTPN1 549/4885

“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.