SCHEMBL5700443

SCHEMBL5700443

CCCN=C(NC(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 9/20 0.53
SCN5A Q14524 8/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
CCR6 P51684 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL5836703 1.00 SCN2A (0.53) SCN2ASCN5APOLBLMNACCR6
Hydrochloric Acid SCHEMBL5700459 0.97 SCN2A (0.51) SCN2ASCN5APOLBLMNACCR6
SCHEMBL5836768 0.95 SCN2A (0.49) SCN2ASCN5APOLBLMNACCR6
SCHEMBL6463624 0.78 LMNA (0.69) SCN2APOLBLMNACCR6MEN1
SCHEMBL5700582 0.77 SMN1; SMN2 (0.42) SCN2ASCN5APOLBLMNAMEN1
SCHEMBL5700585 0.77 SMN1; SMN2 (0.42) SCN2ASCN5APOLBLMNAMEN1
Hydrochloric Acid SCHEMBL5700596 0.74 SMN1; SMN2 (0.40) SCN2ASCN5APOLBLMNAMEN1
SCHEMBL5700600 0.72 SMN1; SMN2 (0.39) SCN2ASCN5APOLBLMNAMEN1
SCHEMBL5166735 0.70 ALDH1A1 (0.83) POLBLMNACCR6MEN1KMT2A
SCHEMBL28463608 0.70 CCR6 (0.59) SCN2APOLBLMNACCR6MEN1

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-7141687-B2 N'-substituted N-acylamidine metal transition complexes and their use as catalysts BASF AKTIENGESELLSCHAFT (DE) 2006-11-28 US disclosed
EP-1569947-B1 N'-SUBSTITUTED N-ACYLAMIDINE METAL TRANSITION COMPLEXES AND THEIR USE AS CATALYSTS BASF AG (DE) 2006-08-30 EP disclosed
US-20060069275-A1 N'-substituded n-acylamidine metal transition complexes and their use as catalysts BASF AKTIENGESELLSCHAFT (DE) 2006-03-30 US disclosed
EP-1569947-A1 N'-SUBSTITUTED N-ACYLAMIDINE METAL TRANSITION COMPLEXES AND THEIR USE AS CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2005-09-07 EP disclosed
WO-2004050670-A1 N'-SUBSTITUTED N-ACYLAMIDINE METAL TRANSITION COMPLEXES AND THEIR USE AS CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2004-06-17 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-20060069275-A1 N'-substituded n-acylamidine metal transition complexes and their use as catalysts NR1I3, NR0B1, NR4A1 SCN2A 761/4885SCN5A 1024/4885POLB 3023/4885

“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.