SCHEMBL6204785

SCHEMBL6204785

NCCc1cccc(Oc2ccncc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.57
LOXL2 Q9Y4K0 1/20 0.50
ACHE P22303 2/20 0.47
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
CHRNA7 P36544 1/20 0.44
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
MAOB P27338 1/20 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
SCHEMBL100121 0.86 LOXL2 (0.52) LOXL2MEN1MITFALDH1A1GAA
SCHEMBL415399 0.86 TAAR1 (0.65) TAAR1LOXL2ACHEDRD2DRD1
Hydrochloric Acid SCHEMBL5356526 0.84 TAAR1 (0.62) TAAR1LOXL2ACHESMN1; SMN2MAOB
SCHEMBL6201445 0.84 LMNA (0.64) TAAR1ACHEDRD2CHRNA7ALDH1A1
SCHEMBL6201328 0.82 TAAR1 (0.56) TAAR1ACHEDRD2DRD1CHRNA7
SCHEMBL6199971 0.80 TAAR1 (0.62) TAAR1ACHEDRD2DRD1MEN1
SCHEMBL16301337 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TRPV6
SCHEMBL9108161 0.79 TAAR1 (0.51) TAAR1MEN1MITFALDH1A1GAA
SCHEMBL29102430 0.78 TAAR1 (0.86) TAAR1SMN1; SMN2MAOB
SCHEMBL30631696 0.78 TAAR1 (0.86) TAAR1SMN1; SMN2MAOB

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
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 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-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 TAAR1 516/4885LOXL2 4540/4885ACHE 451/4885

“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.