SCHEMBL4452496

SCHEMBL4452496

N#Cc1c(C#N)c(C#N)c(OCc2ccccc2)c(C#N)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
SQOR Q9Y6N5 1/20 0.50
AS3MT Q9HBK9 2/20 0.46
NSD2 O96028 1/20 0.46
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOA P21397 2/20 0.42
GRM2 Q14416 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 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
SCHEMBL5163381 0.87 MAOB (0.51) MAOBSQORAS3MTNSD2TSHR
SCHEMBL5741190 0.78 NPC1 (0.62) MAOBSQORAS3MTLMNAGRM2
Fluoride SCHEMBL28325117 0.77 MAOB (0.56) MAOBSQORTSHRMAOAMAPT
SCHEMBL28326137 0.77 MAOB (0.51) MAOBSQORAS3MTLMNAMAOA
SCHEMBL28326121 0.77 MAOB (0.51) MAOBSQORAS3MTNSD2MAOA
SCHEMBL28313229 0.76 MAOB (0.44) MAOBSQORAS3MTNSD2TSHR
SCHEMBL31437416 0.76 KDM1A (0.45) MAOBSQORAS3MTNSD2SLC6A2
SCHEMBL14234135 0.76 MAOB (0.44) MAOBSQORAS3MTNSD2TSHR
SCHEMBL5164352 0.75 PTGER3 (0.45) MAOBLMNA
SCHEMBL15065179 0.74 MAOB (0.50) MAOBSQORAS3MTLMNAGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592486-B2 Anhydrous fluoride salts and reagents and methods for their production BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2009-09-22 US disclosed
US-20060089514-A1 Anhydrous flouride salts and reagents and methods for their production NUTECH VENTURES 2006-04-27 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 (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-20060089514-A1 Anhydrous flouride salts and reagents and methods for their production AFF2, AFF1, AFF4 MAOB 594/4885SQOR 783/4885AS3MT 353/4885

“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.