SCHEMBL688957

SCHEMBL688957

N#Cc1cccc(OCCCn2ccnc2)c1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.88
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NOS1 P29475 1/20 0.62
HMOX2 P30519 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
QPCT Q16769 1/20 0.58
HTT P42858 1/20 0.57

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
SCHEMBL8687327 0.94 TBXAS1 (1.00) TBXAS1KMT2AALDH1A1NPSR1NOS1
Hydrochloric Acid SCHEMBL10751578 0.92 TBXAS1 (0.97) TBXAS1KMT2AALDH1A1NPSR1NOS1
SCHEMBL7296483 0.85 TBXAS1 (0.86) TBXAS1KMT2ANOS1QPCT
SCHEMBL12045305 0.82 TBXAS1 (0.84) TBXAS1KMT2ANOS1QPCT
Hydrochloric Acid SCHEMBL9996074 0.81 TBXAS1 (0.82) TBXAS1KMT2ANOS1QPCT
SCHEMBL1927388 0.80 KMT2A (0.71) TBXAS1KMT2AALDH1A1NPSR1NOS1
SCHEMBL15075252 0.80 KMT2A (1.00) KMT2AALDH1A1NPSR1NOS1HMOX2
Hydrochloric Acid SCHEMBL2529362 0.79 MEN1 (0.85) TBXAS1KMT2ANOS1QPCTHTT
SCHEMBL5664126 0.79 TBXAS1 (0.59) TBXAS1ALDH1A1NPSR1NOS1HMOX2
SCHEMBL7303484 0.78 TBXAS1 (1.00) TBXAS1KMT2AALDH1A1NOS1

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 11 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
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
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 TBXAS1 383/4885KMT2A 574/4885ALDH1A1 423/4885

“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.