SCHEMBL8937823

SCHEMBL8937823

N#CC(NCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ACP3 P15309 3/20 0.49
CYP3A4 P08684 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
SGMS2 Q8NHU3 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13266485 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL25221396 0.91 MEN1 (0.48) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL31338915 0.88 ATM (0.56) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL11661992 0.88 SIGMAR1 (0.46) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL11977412 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL28384031 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ACP3SGMS2MEN1KMT2A
SCHEMBL5864308 0.88 PLA2G1B (0.42) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL5864312 0.88 PLA2G1B (0.42) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL31338913 0.87 TP53 (0.44) SMN1; SMN2ACP3CYP3A4MAPTKDM4E
SCHEMBL11984341 0.84 ALDH1A1 (0.62) SMN1; SMN2SGMS2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN disclosed
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 US disclosed
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 US disclosed
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-09-30 US disclosed
WO-2010093336-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
EP-0673363-A4 PROCESS FOR FORMING ALPHA-AMINONITRILES. AKZO NOBEL NV (NL) 1996-04-17 EP disclosed
EP-0673363-A1 PROCESS FOR FORMING ALPHA-AMINONITRILES Akzo Nobel N.V. (NL) 1995-09-27 EP disclosed
US-5349079-A Process for forming α-aminonitriles from carbonyl compound and fatty amine hydrohalide AKZO NOBEL NV (NL) 1994-09-20 US disclosed
WO-1994013625-A1 PROCESS FOR FORMING ALPHA-AMINONITRILES AKZO NOBEL N.V. (NL) 1994-06-23 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 (4 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-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 SMN1; SMN2 3839/4885ACP3 4100/4885CYP3A4 438/4885
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 SMN1; SMN2 3695/4885ACP3 4345/4885CYP3A4 212/4885
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 SMN1; SMN2 3839/4885ACP3 4100/4885CYP3A4 438/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 SMN1; SMN2 3695/4885ACP3 4345/4885CYP3A4 212/4885

“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.