SCHEMBL6433689

SCHEMBL6433689

CC(C)(C)OOC(=O)NCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
EPHX1 P07099 2/20 0.32
PAOX Q6QHF9 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3861871 0.87 PAOX (0.48) TDP1MAOBMAOAMEN1KMT2A
SCHEMBL5831727 0.82 TDP1 (0.47) TDP1MAOBMAOAMEN1KMT2A
SCHEMBL34362 0.79 TDP1 (0.58) TDP1MAOBMAOAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28173213 0.78 TDP1 (0.56) TDP1MAOBMAOAMEN1KMT2A
Hydrochloric Acid SCHEMBL219905 0.78 TDP1 (0.56) TDP1MAOBMAOAMEN1KMT2A
SCHEMBL17206239 0.77 EPHX1 (0.38) TDP1MEN1KMT2AGAAALDH1A1
Bicarbonate SCHEMBL4130667 0.76 MEN1 (0.56) TDP1MAOBMAOAMEN1KMT2A
SCHEMBL9015654 0.76 MEN1 (0.32) TDP1MAOBMAOAMEN1KMT2A
Acetic Acid SCHEMBL8853938 0.74 MEN1 (0.54) TDP1MAOBMAOAMEN1KMT2A
SCHEMBL18737422 0.74 TDP1 (0.41) TDP1MAOBMAOAMEN1KMT2A

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 6 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-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 TDP1 637/4885MAOB 2075/4885MAOA 2356/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 TDP1 637/4885MAOB 2075/4885MAOA 2356/4885

“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.