SCHEMBL6434228

SCHEMBL6434228

CN(Cc1ccc2c(Cl)cnc(Cl)c2c1)[C@H](C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 1/20 0.34
PLAU P00749 2/20 0.34
MDM2 Q00987 2/20 0.33
HCRTR1 O43613 1/20 0.33
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6437525 0.86 PLAU (0.34) S1PR3S1PR2PLAUMDM2HCRTR1
Hydrochloric Acid SCHEMBL6960293 0.85 PLAU (0.33) S1PR3S1PR2PLAUMDM2HCRTR1
SCHEMBL7389838 0.85 OPRM1 (0.35) OPRM1OPRD1KMT2AS1PR3S1PR2
SCHEMBL6434696 0.77 NR1D1 (0.43) KMT2APLAUTRPM8
SCHEMBL6434223 0.72 RXRA (0.32) PLAUALDH1A1KDM4E
SCHEMBL6432860 0.72 PLAU (0.61) PLAUTRPM8
SCHEMBL7367873 0.72 PLAU (0.33) S1PR3S1PR2PLAU
SCHEMBL6435282 0.70 ROCK2 (0.53) KMT2AHCRTR1ALDH1A1KDM4EATM
SCHEMBL6435278 0.70 ROCK2 (0.53) KMT2AHCRTR1ALDH1A1KDM4EATM
Trifluoroacetic Acid SCHEMBL6433381 0.70 PLAU (0.36) S1PR3S1PR2PLAUMDM2ALDH1A1

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 8 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
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO 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 OPRM1 4449/4885OPRD1 4298/4885KMT2A 4810/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 OPRM1 4449/4885OPRD1 4298/4885KMT2A 4810/4885

“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.