SCHEMBL5177698

SCHEMBL5177698

Cc1cccc(C(=O)NCc2ccc(C(=N)N)cc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PRSS1 P07477 5/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 1/20 0.43

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 SCHEMBL5089718 0.99 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL5094020 0.84 POLB (0.50) ALDH1A1POLBCA1CA2PRSS1
SCHEMBL5094014 0.83 CA1 (0.49) POLBCA1CA2PRSS1F10
Hydrochloric Acid SCHEMBL5089093 0.83 CA1 (0.49) ALDH1A1POLBCA1CA2PRSS1
SCHEMBL5177127 0.80 POLB (0.48) ALDH1A1POLBSMN1; SMN2LMNAPKM
SCHEMBL5564415 0.77 CA1 (0.44) POLBSMN1; SMN2CA1CA2PRSS1
SCHEMBL8266386 0.77 F10 (0.45) POLBCA1CA2GAAF10
Hydrochloric Acid SCHEMBL5089572 0.77 CA1 (0.43) POLBCA1CA2PRSS1F10
Hydrochloric Acid SCHEMBL5139096 0.77 F10 (0.46) POLBCA1CA2GAAF10
SCHEMBL8267082 0.77 HDAC8 (0.53) ALDH1A1CA1CA2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 965/4885POLB 4510/4885SMN1; SMN2 4175/4885

“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.