SCHEMBL427280

SCHEMBL427280

CN(C(=O)n1cnc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.46
LIPE Q05469 6/20 0.45
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LTC4S Q16873 1/20 0.39
XPO1 O14980 1/20 0.38
MGLL Q99685 2/20 0.38
KMT2A Q03164 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
SCHEMBL427271 0.88 LIPE (0.58) LIPEACHEXPO1MGLLKMT2A
SCHEMBL427521 0.86 ACHE (0.47) LIPEACHEBCHEMAPTMGLL
SCHEMBL426706 0.77 GPBAR1 (0.46) GPBAR1LIPEACHETP53LTC4S
SCHEMBL424347 0.73 LIPE (0.56) LIPEACHEBCHEMGLLKMT2A
SCHEMBL427525 0.71 PIK3C3 (0.38) HDAC1HDAC6MAPTMGLL
SCHEMBL9894487 0.71 HDAC1 (0.46) HDAC1HDAC6MAPTMGLLKMT2A
SCHEMBL425582 0.69 PARP10 (0.47) LIPEACHEMGLLKMT2A
SCHEMBL31301304 0.68 GPBAR1 (0.46) GPBAR1TP53MAPTKMT2A
SCHEMBL2179538 0.67 BCHE (0.48) LIPEACHEBCHEHDAC1HDAC6
SCHEMBL6769817 0.66 GPBAR1 (0.46) GPBAR1LIPEACHE

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 GPBAR1 218/4885LIPE 61/4885ACHE 167/4885

“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.