SCHEMBL7333620

SCHEMBL7333620

COc1cccc(-c2ccc3c(OC(=O)C(F)(F)F)c(C(=N)N)ccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
F9 P00740 5/20 0.41
F10 P00742 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B2 P37059 1/20 0.41
PLAU P00749 4/20 0.40
PLG P00747 2/20 0.40
PLAT P00750 2/20 0.40
LRRK2 Q5S007 1/20 0.39
C1S P09871 1/20 0.39
IKBKB O14920 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL7345650 0.87 F9 (0.40) F9F10PLAUPLGIKBKB
SCHEMBL7337595 0.78 PLAU (0.41) F10CYP1A2CYP2C9CYP2C19PLAU
SCHEMBL7337460 0.78 PLAU (0.32) HDAC6F10CYP3A4PLAU
SCHEMBL7333556 0.77 ERN1 (0.31)
Trifluoroacetic Acid SCHEMBL7333611 0.75 PLAU (0.56) HSD17B1HDAC6F10PLAUPLG
SCHEMBL7342370 0.74 PLAU (0.46) F10CYP1A2CYP2D6CYP2C19PLAU
SCHEMBL7335067 0.74 ASIC3 (0.46) CYP1A2PLAU
SCHEMBL7336146 0.74 PLAU (0.46) PLAUPLGPLAT
SCHEMBL7341740 0.73 IAPP (0.36) CYP3A4
SCHEMBL7337502 0.73 NPC1 (0.43) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed
EP-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 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 (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-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 HSD17B1 664/4885HDAC6 1874/4885F9 400/4885

“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.