SCHEMBL5176958

SCHEMBL5176958

N#Cc1ccc(CNC(=O)c2cc(Cl)cc(COc3ccc(F)cc3)c2)c(OCC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
DDR1 Q08345 1/20 0.41
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
PPARA Q07869 4/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
EPHX2 P34913 1/20 0.38
BCHE P06276 2/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MAOB P27338 1/20 0.37
PARP10 Q53GL7 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL5900645 0.93 AKR1B1 (0.41) AKR1B1DDR1PPARAPDCD1CD274
SCHEMBL5178325 0.91 DDR1 (0.41) AKR1B1DDR1NPC1HTTRAB9A
SCHEMBL8266378 0.87 F10 (0.48) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5189128 0.87 AKR1B1 (0.44) AKR1B1DDR1NPC1HTTRAB9A
Hydrochloric Acid SCHEMBL5900675 0.86 F10 (0.47) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5188670 0.86 HTT (0.44) DDR1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL5900967 0.86 DDR1 (0.44) AKR1B1DDR1SMN1; SMN2EPHX2F10
SCHEMBL5900814 0.85 HTT (0.39) AKR1B1DDR1HTTSMN1; SMN2ALDH1A1
SCHEMBL5900614 0.85 DDR1 (0.44) AKR1B1DDR1EPHX2F10
SCHEMBL5175666 0.82 HTT (0.49) NPC1HTTSMN1; SMN2ALDH1A1POLB

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 AKR1B1 1203/4885DDR1 1764/4885NPC1 4627/4885

“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.