SCHEMBL1390752

SCHEMBL1390752

CCOc1ccc(OCc2ccnc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
NQO1 P15559 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
MAOB P27338 5/20 0.41
LTA4H P09960 1/20 0.41
FFAR1 O14842 2/20 0.40
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7922770 0.85 LOXL2 (0.50) LOXL2TP53LMNAMAOBMAOA
SCHEMBL864046 0.80 LOXL2 (0.49) LOXL2MAOBTSHRKCNH3
SCHEMBL7853860 0.78 NQO1 (0.46) LOXL2NQO1TP53NPC1ALDH1A1
SCHEMBL1390884 0.76 MEN1 (0.45) NQO1SMN1; SMN2TP53PKMNFKB1
SCHEMBL22874674 0.75 MAOB (0.71) SMN1; SMN2TP53PKMNFKB1NFKB2
SCHEMBL13593103 0.74 LOXL2 (0.59) LOXL2MRGPRX4FFAR1TSHRRECQL
SCHEMBL6468413 0.74
SCHEMBL17864854 0.73 MAOB (0.61) MAOBMAOAMAPT
SCHEMBL22874653 0.73 MAOB (0.67) NQO1NPC1RAB9ALMNAMAOB
SCHEMBL16012226 0.72 MAOB (0.54) SMN1; SMN2NPC1RAB9AMAOBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB LOXL2 2362/4885NQO1 609/4885SMN1; SMN2 787/4885

“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.