SCHEMBL4180664

SCHEMBL4180664

O=C(Nc1ccc(N2CCOCC2)cc1)NC(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 3/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
MCL1 Q07820 1/20 0.59
GAA P10253 1/20 0.58
EPHX2 P34913 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TP53 P04637 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL3994030 0.84 EPHX2 (0.70) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL4922234 0.82 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL5003684 0.81 MAPT (0.72) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL1109329 0.81 MAPT (0.72) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL5863308 0.81 EPHX2 (0.72) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL16620552 0.81 MAPT (0.63) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL1853814 0.78 MAPT (0.67) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL5863121 0.77 MAPT (0.73) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL429084 0.76 MAPT (0.65) MAPTSMN1; SMN2LMNAMEN1HTT
SCHEMBL429085 0.76 MAPT (0.75) MAPTSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 MAPT 582/4885SMN1; SMN2 159/4885LMNA 4109/4885
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 MAPT 1165/4885SMN1; SMN2 819/4885LMNA 957/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 MAPT 793/4885SMN1; SMN2 1725/4885LMNA 2478/4885

“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.