SCHEMBL5175666

SCHEMBL5175666

N#Cc1ccc(CNC(=O)c2cc(Cl)cc(OCc3cccnc3)c2)c(OCC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 4/20 0.42
GFER P55789 1/20 0.42
RECQL P46063 1/20 0.41
MAPK14 Q16539 1/20 0.41
VNN1 O95497 1/20 0.40
GPR132 Q9UNW8 2/20 0.40
SCN9A Q15858 1/20 0.40
MAPK1 P28482 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CACNA1I Q9P0X4 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
SCHEMBL5188670 0.91 HTT (0.44) HTTSMN1; SMN2LMNAGFERRECQL
SCHEMBL5900814 0.90 HTT (0.39) HTTSMN1; SMN2LMNAMAPK14SCN9A
SCHEMBL5178325 0.88 DDR1 (0.41) HTTSMN1; SMN2POLBALDH1A1NPC1
SCHEMBL8265742 0.88 HTT (0.49) HTTSMN1; SMN2LMNAGFERRECQL
SCHEMBL5189128 0.88 AKR1B1 (0.44) HTTSMN1; SMN2LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL5900676 0.87 HTT (0.49) HTTSMN1; SMN2LMNAGFERRECQL
SCHEMBL5900967 0.86 DDR1 (0.44) SMN1; SMN2MAPK1
SCHEMBL5178543 0.85 F10 (0.48) MAPK14SCN9AALDH1A1L3MBTL1TSHR
SCHEMBL5900645 0.85 AKR1B1 (0.41) PDCD1CD274
SCHEMBL5901051 0.83 HTT (0.49) HTTSMN1; SMN2LMNARECQLMAPK14

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 3 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

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 HTT 4532/4885SMN1; SMN2 4175/4885LMNA 1313/4885

“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.