SCHEMBL6184781

SCHEMBL6184781

COc1c(F)c(C(=O)O)cc(F)c1N1C[C@@H](N[C@@H](C)c2ccccc2)C2(CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
JAK3 P52333 4/20 0.33
TYK2 P29597 2/20 0.33
C5 P01031 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.32
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6184777 1.00 TOP1 (0.34) TOP1KCNH2KDM4EHPGDJAK2
SCHEMBL6183281 0.90 LMNA (0.36) TOP1KDM4EHPGDLMNAALDH1A1
SCHEMBL6183285 0.90 LMNA (0.36) TOP1KDM4EHPGDLMNAALDH1A1
SCHEMBL6181606 0.78 KCNH2 (0.33) TOP1KCNH2KDM4EHPGDLMNA
SCHEMBL6181610 0.78 KCNH2 (0.33) TOP1KCNH2KDM4EHPGDLMNA
SCHEMBL6183620 0.68 DRD2 (0.35) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL6183624 0.68 DRD2 (0.35) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL6184374 0.66 KDM4E (0.33) KDM4ELMNAALDH1A1MEN1KMT2A
Biphenyl SCHEMBL2838222 0.61 AKR1C2 (0.47) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL25465736 0.61 KDM4E (0.47) KDM4EALDH1A1

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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD (JP) 2005-06-30 US disclosed
EP-1518856-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 EP 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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative PORCN, POR, COASY TOP1 47/4885KCNH2 2106/4885KDM4E 3193/4885

“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.