SCHEMBL6436657

SCHEMBL6436657

N=C(N)Nc1ncc(Cl)c2ccc(C(=O)NCC(=O)OC(=O)C(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
EPHX2 P34913 2/20 0.34
MAPT P10636 1/20 0.34
HTR5A P47898 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ROCK2 O75116 1/20 0.33
PPARD Q03181 2/20 0.33
XDH P47989 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
Trifluoroacetic Acid SCHEMBL6436650 0.86 CA1 (0.42) KDM4ELMNAMAPTHTR5AKCNQ3
SCHEMBL6437624 0.84 PTPRC (0.43) KDM4ELMNAALDH1A1RECQLMAPT
Hydrochloric Acid SCHEMBL7447057 0.83 CA1 (0.46) KDM4ELMNAEPHX2MAPT
SCHEMBL6434734 0.82 PLAU (0.49)
SCHEMBL7367423 0.81 POLB (0.46) KDM4ELMNAALDH1A1RECQLMAPT
SCHEMBL6434387 0.79 MRGPRX4 (0.37) MRGPRX4
SCHEMBL6433846 0.78 DGAT2 (0.47) MAPTDGAT2PPARD
SCHEMBL6436503 0.78 CA1 (0.48)
SCHEMBL6438581 0.77 PLAU (0.51)
Trifluoroacetic Acid SCHEMBL6434379 0.76 CA2 (0.46) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 KDM4E 4578/4885LMNA 1451/4885ALDH1A1 2641/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 KDM4E 4578/4885LMNA 1451/4885ALDH1A1 2641/4885

“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.