SCHEMBL1571379

SCHEMBL1571379

COc1nccnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
CALM1 P0DP23 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM1A O60341 3/20 0.38
MAOA P21397 1/20 0.38
LIMK2 P53671 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
SCHEMBL5377686 0.81 LTA4H (0.56) LTA4HALDH1A1LMNAMAPTHTT
SCHEMBL13939867 0.81 CYP11B1 (0.41) LTA4HCYP2D6CHRM1HRH1KCNH2
SCHEMBL8781507 0.80 CALM1 (0.55) CYP2D6CALM1ALDH1A1LMNATAAR1
SCHEMBL6376093 0.78 KDM1A (0.50) LTA4HHRH1KDM1AMAOAMAOB
SCHEMBL4854533 0.77 TP53 (0.42) LTA4HHTR2CALDH1A1LMNAMAPT
SCHEMBL27928053 0.76 KEAP1 (0.46) LTA4HCYP2D6KCNH2ALDH1A1LMNA
SCHEMBL29986908 0.76 KEAP1 (0.46) LTA4HCYP2D6KCNH2ALDH1A1LMNA
SCHEMBL12843879 0.75 TP53 (0.46) CALM1LMNATAAR1LIMK2LTB4R
SCHEMBL27462567 0.75 TAAR1 (0.46) CYP2D6HRH1CALM1HTR2CALDH1A1
SCHEMBL31278328 0.74 PDE10A (0.44) LTA4HCYP2D6KCNH2ALDH1A1LMNA

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
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 EP disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 EP disclosed
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 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-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 LTA4H 1062/4885CYP2D6 2446/4885CHRM1 2221/4885

“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.