SCHEMBL688958

SCHEMBL688958

N#Cc1cccc(OCCCn2cncn2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 4/20 0.57
TBXAS1 P24557 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ALOX15 P16050 2/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL687762 0.81 TBXAS1 (0.58) TSHRALDH1A1TBXAS1
SCHEMBL12750371 0.78 TSHR (0.67) TSHRKDM4EMAPTLMNAMEN1
Hydrochloric Acid SCHEMBL27749709 0.78 TSHR (0.67) TSHRKDM4EMAPTLMNAMEN1
Hydrochloric Acid SCHEMBL689548 0.77 TSHR (0.65) TSHRKDM4EMAPTLMNAMEN1
SCHEMBL688957 0.77 TBXAS1 (0.88) TSHRKMT2AALDH1A1TBXAS1SMN1; SMN2
SCHEMBL7388461 0.75 TBXAS1 (0.56) TBXAS1
SCHEMBL8995256 0.74 MAPT (0.66) TSHRKDM4EMAPTLMNAMEN1
SCHEMBL16358909 0.74 MAPT (0.69) TSHRKDM4EMAPTLMNAMEN1
SCHEMBL12834842 0.74 MAPT (0.69) TSHRKDM4EMAPTLMNAMEN1
SCHEMBL16359672 0.74 MAPT (0.69) TSHRKDM4EMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
CN-101351453-A Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-01-21 CN disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 TSHR 3033/4885KDM4E 599/4885MAPT 4287/4885

“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.