SCHEMBL3028308

SCHEMBL3028308

O=C(NCC(F)(F)F)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
LMNA P02545 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
ULK1 O75385 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RHOC P08134 2/20 0.40
RHOA P61586 2/20 0.40
S1PR2 O95136 1/20 0.39
MAPK14 Q16539 1/20 0.39
FABP4 P15090 1/20 0.38
MEN1 O00255 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3893768 0.82 RAB9A (0.54) LMNALOXL2SMN1; SMN2RHOCRHOA
SCHEMBL17837840 0.79 LOXL2 (0.46) LMNALOXL2ULK1SMN1; SMN2MEN1
SCHEMBL8957220 0.78 BCHE (0.50) BCHEACHES1PR2FABP4MEN1
SCHEMBL1148141 0.77 LOXL2 (0.42) LMNALOXL2ULK1SMN1; SMN2MAPK14
SCHEMBL6971023 0.77 BCHE (0.49) BCHEACHES1PR2FABP4MEN1
SCHEMBL3895572 0.75 SMN1; SMN2 (0.58) LMNASMN1; SMN2MEN1CYP1A2GAA
SCHEMBL26634571 0.75 CES2 (0.47) LMNALOXL2ULK1MAPK14
SCHEMBL11490893 0.75 BCHE (0.51) BCHEACHES1PR2FABP4
SCHEMBL8957109 0.75 KDM4E (0.61) BCHEACHESMN1; SMN2MEN1GAA
SCHEMBL8957068 0.74 BCHE (0.47) BCHEACHES1PR2FABP4MEN1

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
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008099210-A2 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-08-21 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP BCHE 103/4885ACHE 26/4885LMNA 2046/4885

“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.