SCHEMBL3582885

SCHEMBL3582885

Fc1ccc(-c2cc(CNc3ccon3)on2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.46
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 3/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.37
NOTUM Q6P988 3/20 0.37
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.34
TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL4679278 0.88 IGF1R (0.37) IGF1RPOLBMAPTSMN1; SMN2CYP1A2
SCHEMBL4679791 0.81 BLM (0.37) IGF1RCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3591482 0.81 IGF1R (0.40) IGF1R
SCHEMBL14066488 0.79 PSEN1 (0.43) IGF1RCYP3A4CYP2C19
SCHEMBL4686158 0.78 IGF1R (0.33) IGF1RPOLBSMN1; SMN2HTTJAK2
SCHEMBL3586930 0.78 IGF1R (0.41) IGF1RMAPTSMN1; SMN2ALDH1A1
SCHEMBL4686151 0.78 IGF1R (0.33) IGF1RPOLBMAPTCYP3A4ALDH1A1
SCHEMBL4683030 0.78 IGF1R (0.33) IGF1RPOLB
SCHEMBL4680699 0.77 POLB (0.48) POLBMAPTTHRBSMN1; SMN2CYP1A2
SCHEMBL4680635 0.77 IGF1R (0.32) IGF1R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY LABORATORIOS SALVAT, S.A. (ES) 2010-03-25 US disclosed
EP-1976837-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Laboratorios SALVAT, S.A. (ES) 2008-10-08 EP disclosed
EP-1437349-B9 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2008-09-10 EP disclosed
EP-1437349-B1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS S A L V A T LAB SA (ES) 2007-08-15 EP disclosed
WO-2007082910-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY LABORATORIOS SALVAT, S.A. (ES) 2007-07-26 WO disclosed
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 US disclosed
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 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 (2 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-20100075984-A1 DICARBONYLIC COMPOUNDS WITH ANTIBACTERIAL ACTIVITY AHR, DDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IGF1R 2449/4885POLB 568/4885MAPT 3754/4885
US-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 IGF1R 798/4885POLB 1162/4885MAPT 4610/4885

“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.