SCHEMBL6437307

SCHEMBL6437307

C[C@H](NC(=O)c1ccc2c(Cl)cnc(Cl)c2c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 5/20 0.40
RECQL P46063 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 3/20 0.39
XBP1 P17861 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPK3 P27361 1/20 0.38
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL6435819 0.89 TAS1R3 (0.43) MAPK1NPSR1CA1CA2MAPK3
SCHEMBL6435824 0.89 TAS1R3 (0.43) MAPK1NPSR1CA1CA2MAPK3
SCHEMBL6434625 0.86 NPSR1 (0.48) MAPTMAPK1ATMNPSR1RECQL
SCHEMBL6434626 0.86 NPSR1 (0.48) MAPTMAPK1ATMNPSR1RECQL
SCHEMBL6433809 0.84 GRN (0.46) MAPTMAPK1ATMNPSR1TDP1
SCHEMBL6437559 0.84 ROCK2 (0.38) MAPTNPSR1TDP1KMT2AKDM4E
SCHEMBL6433807 0.84 GRN (0.46) MAPTMAPK1ATMNPSR1TDP1
SCHEMBL6437001 0.83 NPR3 (0.41) ALDH1A1KDM4E
SCHEMBL6437004 0.83 NPR3 (0.41) ALDH1A1KDM4E
SCHEMBL6435282 0.82 ROCK2 (0.53) MAPTMAPK1ATMNPSR1RECQL

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-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US 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 (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-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 MAPT 2392/4885MAPK1 2355/4885ATM 1673/4885

“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.