SCHEMBL426694

SCHEMBL426694

COc1ccc(-c2cn(C(=O)N(C)c3ccccc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
LIPE Q05469 1/20 0.49
FAAH O00519 1/20 0.49
TSPO P30536 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TMIGD3 P0DMS9 2/20 0.42

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
SCHEMBL425544 0.95 FAAH (0.52) ACHELIPEFAAHALDH1A1HTT
SCHEMBL425399 0.90 RAB9A (0.43) ACHELIPEFAAHALDH1A1HTT
SCHEMBL425409 0.89 HSD17B2 (0.50) FAAHALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL427476 0.88 FAAH (0.57) ACHELIPEFAAHSMN1; SMN2RAB9A
SCHEMBL425371 0.88 FAAH (0.60) ACHELIPEFAAHSMN1; SMN2RAB9A
SCHEMBL425556 0.88 L3MBTL1 (0.43) ACHELIPEFAAHMAPTL3MBTL1
SCHEMBL426698 0.86 FAAH (0.52) ACHELIPEFAAHSMN1; SMN2RAB9A
SCHEMBL425535 0.85 FAAH (0.49) ACHELIPEFAAHSMN1; SMN2RAB9A
SCHEMBL425400 0.85 FAAH (0.54) ACHELIPEFAAHALDH1A1SMN1; SMN2
SCHEMBL425550 0.85 FAAH (0.51) FAAHSMN1; SMN2KDM4EMAPTKMT2A

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 7 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ACHE 167/4885LIPE 61/4885FAAH 1/4885

“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.