SCHEMBL4845913

SCHEMBL4845913

CCCCCCOC(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 4/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL4845919 1.00 HPGD (0.48) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4843968 0.98 HPGD (0.50) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4843980 0.98 HPGD (0.50) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4844180 0.94 HPGD (0.48) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4846849 0.91 RAB9A (0.45) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4846844 0.91 RAB9A (0.45) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4843986 0.90 LMNA (0.47) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4843993 0.90 LMNA (0.47) HPGDRAB9ALMNANPC1CYP1A2
SCHEMBL4835246 0.89 NR1H4 (0.54) RAB9ALMNANPC1SMN1; SMN2KDM4E
SCHEMBL4835259 0.89 NR1H4 (0.54) RAB9ALMNANPC1SMN1; 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 HPGD 1185/4885RAB9A 2220/4885LMNA 3014/4885

“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.