SCHEMBL4844201

SCHEMBL4844201

CCOc1ccccc1C(=O)/C=C1\NC(C)(C)Oc2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
CLK1 P49759 1/20 0.41
NTSR1 P30989 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
IKBKB O14920 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
STK17B O94768 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4840933 0.91 NTSR1 (0.45) MAPTTSHRKDM4ECLK1NTSR1
SCHEMBL4842167 0.85 ALDH1A1 (0.42) MAPTHPGDLMNATSHRKDM4E
SCHEMBL4841080 0.84 NTSR1 (0.38) MAPTHPGDHSD17B10LMNATSHR
SCHEMBL4843738 0.82 ABCB1 (0.42) MAPTLMNANPSR1TSHRNTSR1
SCHEMBL4835482 0.81 MAPT (0.43) MAPTLMNATSHRKDM4EMEN1
SCHEMBL4837727 0.81 PIN1 (0.39) MAPTLMNATSHRNTSR1MEN1
SCHEMBL4841200 0.81 KMT2A (0.41) MAPTHPGDLMNAKDM4EATM
SCHEMBL4844704 0.80 TGM2 (0.42) MAPTHPGDHSD17B10LMNANPSR1
SCHEMBL4845901 0.79 ABCG2 (0.42) HPGDTSHRKDM4ENTSR1ALDH1A1
SCHEMBL4835102 0.73 MDM2 (0.39) MAPTKDM4EKMT2ASMN1; SMN2ALDH1A1

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
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 claimed
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 MAPT 646/4885HPGD 1185/4885HSD17B10 2670/4885

“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.