SCHEMBL5864545

SCHEMBL5864545

N#CC(NCc1ccccc1)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 11/20 0.45
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL11977410 0.81 SGMS2 (0.45) SGMS2IDO1TDO2POLBLMNA
SCHEMBL13133354 0.81 POLB (0.59) SGMS2IDO1POLBLMNAALDH1A1
SCHEMBL31338911 0.81 SGMS2 (0.48) SGMS2IDO1TDO2POLBLMNA
SCHEMBL13133351 0.81 SGMS2 (0.48) SGMS2POLBLMNAALDH1A1SIGMAR1
SCHEMBL11977407 0.81 SGMS2 (0.48) SGMS2IDO1TDO2POLBLMNA
SCHEMBL11628345 0.78 ACP3 (0.55) SGMS2POLBLMNAALDH1A1SIGMAR1
SCHEMBL13133349 0.78 SGMS2 (0.59) SGMS2POLBLMNAALDH1A1KMT2A
SCHEMBL13266485 0.78 SMN1; SMN2 (0.50) SGMS2LMNAALDH1A1KMT2ASIGMAR1
SCHEMBL8937823 0.78 SMN1; SMN2 (0.50) SGMS2LMNAALDH1A1KMT2ASIGMAR1
SCHEMBL5864308 0.77 PLA2G1B (0.42) SGMS2CNR2LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
WO-2009041919-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 WO disclosed
US-6984642-B1 Substituted phenylcyclohexane carboxylic acid amides and their use as adenosine uptake inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US 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 SGMS2 4436/4885IDO1 30/4885TDO2 3/4885
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 SGMS2 4524/4885IDO1 67/4885TDO2 7/4885
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 SGMS2 4436/4885IDO1 30/4885TDO2 3/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 SGMS2 4524/4885IDO1 67/4885TDO2 7/4885

“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.