SCHEMBL1000755

SCHEMBL1000755

Fc1cc(Br)cc(F)c1-c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ERN1 O75460 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
ATM Q13315 1/20 0.33
PTK2 Q05397 1/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
CYP2A6 P11509 1/20 0.31
PIM1 P11309 1/20 0.31
CYP19A1 P11511 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL29257373 0.75 CYP2A6 (0.48) ERN1CYP11B1CYP11B2CYP2A6CYP1A2
SCHEMBL998808 0.74 ALOX5AP (0.49) CYP11B1CYP11B2ATM
SCHEMBL12925869 0.74 AKR1C3 (0.39) ERN1CYP11B1CYP11B2ATMHDAC4
SCHEMBL10744162 0.73 ATM (0.46) ATMCYP2A6PIM1HDAC4GRM5
SCHEMBL22418964 0.72 ATM (0.44) DYRK1ADYRK1BERN1CYP11B1CYP11B2
SCHEMBL9417611 0.70 CES2 (0.32)
SCHEMBL28072227 0.70 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL13910998 0.69 ATM (0.50) ERN1ATMAURKATTKAURKB
SCHEMBL999759 0.67 CYP11B1 (0.44) ERN1CYP11B1CYP11B2ATMCYP2A6
SCHEMBL17514575 0.67

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-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A DYRK1A 4128/4885DYRK1B 4362/4885ERN1 2047/4885

“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.