SCHEMBL5189128

SCHEMBL5189128

N#Cc1ccc(CNC(=O)c2cc(Cl)cc(OCc3ccc(Cl)cc3)c2)c(OCC(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
CCR5 P51681 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
DDR1 Q08345 2/20 0.40
SMPD1 P17405 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
ADAM17 P78536 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX2 P34913 1/20 0.38

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 0.94 AKR1B1 (0.41) AKR1B1CCR5DDR1SMPD1ADAM17
SCHEMBL5178325 0.94 DDR1 (0.41) AKR1B1CCR5HTTSMN1; SMN2NPC1
SCHEMBL5900814 0.92 HTT (0.39) AKR1B1HTTSMN1; SMN2ALDH1A1DDR1
SCHEMBL5900967 0.92 DDR1 (0.44) AKR1B1SMN1; SMN2DDR1EGLN2EPHX2
SCHEMBL5175666 0.88 HTT (0.49) HTTSMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL5176958 0.87 AKR1B1 (0.41) AKR1B1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5900614 0.87 DDR1 (0.44) AKR1B1DDR1EGLN2EPHX2SNCA
SCHEMBL5176645 0.86 DDR1 (0.43) AKR1B1ALDH1A1DDR1EGLN2MAPT
Hydrochloric Acid SCHEMBL5901060 0.86 F10 (0.49) HTTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5178543 0.85 F10 (0.48) ALDH1A1DDR1EPHX2

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 1203/4885CCR5 3138/4885HTT 4532/4885

“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.