SCHEMBL5178502

SCHEMBL5178502

CCOC(=O)CNc1cc(C(=N)N)ccc1CNC(=O)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
F10 P00742 4/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 1/20 0.41
F7 P08709 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KLKB1 P03952 3/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
PLAU P00749 1/20 0.39

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
Hydrochloric Acid SCHEMBL5178497 0.99 CA1 (0.41) CA1CA2POLBTP53LMNA
SCHEMBL5564415 0.88 CA1 (0.44) CA1CA2POLBF10F2
SCHEMBL8266155 0.87 CA1 (0.42) CA1CA2POLBLMNAF10
Hydrochloric Acid SCHEMBL5086284 0.86 CA1 (0.41) CA1CA2POLBLMNAF10
SCHEMBL8266398 0.86 F2 (0.44) CA1CA2POLBF10F2
SCHEMBL5177725 0.85 KLKB1 (0.44) POLBTP53LMNAF2KDM4E
Hydrochloric Acid SCHEMBL5089175 0.85 F2 (0.43) CA1CA2POLBF10F2
Hydrochloric Acid SCHEMBL5177719 0.85 KLKB1 (0.44) POLBTP53LMNAF2KDM4E
Hydrochloric Acid SCHEMBL5089572 0.83 CA1 (0.43) CA1CA2POLBF10F2
SCHEMBL8267082 0.83 HDAC8 (0.53) CA1CA2F10F2PRSS1

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-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US claimed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 CA1 2336/4885CA2 1370/4885POLB 4510/4885

“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.