SCHEMBL14945005

SCHEMBL14945005

CC(=O)C(N)Cc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
CYP1A2 P05177 1/20 0.47
AKT1 P31749 4/20 0.44
NCF1 P14598 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
PTK2B Q14289 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKT2 P31751 3/20 0.39
AKT3 Q9Y243 3/20 0.39
FAAH O00519 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PTPN1 P18031 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
SCHEMBL1662034 0.86 LOXL2 (0.53) LOXL2CYP1A2AKT1NCF1MAPT
SCHEMBL29556980 0.86 LOXL2 (0.53) LOXL2CYP1A2AKT1NCF1MAPT
SCHEMBL503049 0.86 LOXL2 (0.53) LOXL2CYP1A2AKT1NCF1MAPT
SCHEMBL503050 0.86 LOXL2 (0.53) LOXL2CYP1A2AKT1NCF1MAPT
SCHEMBL6245559 0.84 LOXL2 (0.47) LOXL2CYP1A2AKT1NCF1FAAH
SCHEMBL6245556 0.84 LOXL2 (0.47) LOXL2CYP1A2AKT1NCF1FAAH
SCHEMBL6495560 0.84 LOXL2 (0.47) LOXL2CYP1A2AKT1NCF1MAPT
Hydrochloric Acid SCHEMBL6495563 0.83 LOXL2 (0.46) LOXL2CYP1A2AKT1NCF1MAPT
Hydrochloric Acid SCHEMBL6495555 0.83 LOXL2 (0.46) LOXL2CYP1A2AKT1NCF1MAPT
SCHEMBL13957539 0.83 LOXL2 (0.46) LOXL2CYP1A2AKT1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP LOXL2 2215/4885CYP1A2 4100/4885AKT1 3816/4885

“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.