SCHEMBL4844868

SCHEMBL4844868

CCCCOC(=O)Nc1ccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 7/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
EGFR P00533 2/20 0.40
KDR P35968 2/20 0.40

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
SCHEMBL4844881 1.00 RAB9A (0.47) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4846844 0.97 RAB9A (0.45) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4846849 0.97 RAB9A (0.45) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4835291 0.96 LMNA (0.43) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4835307 0.96 LMNA (0.43) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4841954 0.92 KDM4E (0.49) RAB9ANPC1KDM4ELMNAHPGD
SCHEMBL4841967 0.92 KDM4E (0.49) RAB9ANPC1KDM4ELMNAHPGD
SCHEMBL4843968 0.91 HPGD (0.50) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4843980 0.91 HPGD (0.50) RAB9ANPC1CASP1SMN1; SMN2KDM4E
SCHEMBL4839986 0.90 KDM4E (0.42) RAB9ANPC1CASP1SMN1; SMN2KDM4E

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 985/4885CASP1 708/4885

“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.