SCHEMBL768917

SCHEMBL768917

N#Cc1cc(F)c(-c2ccccc2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GALR3 O60755 1/20 0.47
GAA P10253 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
USP8 P40818 1/20 0.44
USP7 Q93009 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 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
SCHEMBL22609640 0.90 ACLY (0.51) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11840754 0.85 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3293721 0.79 ALDH1A1 (0.47) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27595202 0.79 AR (0.47) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16122535 0.78 CYP11B1 (0.49) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28561097 0.78 ADORA2A (0.42) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5402168 0.78 BACE1 (0.50) ACLYALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22812344 0.77 FABP3 (0.46) ACLYKDM4EHPGDGAACYP11B1
SCHEMBL17337245 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28367456 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102449795-A Use of phthalocyanine compounds with aryl or heteroaryl substituents in organic solar cells BASF SE 2012-05-09 CN disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ACLY 4777/4885ALDH1A1 761/4885CYP1A2 345/4885

“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.