SCHEMBL6201445

SCHEMBL6201445

NCCc1cccc(Oc2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
CHRNA7 P36544 1/20 0.59
TAAR1 Q96RJ0 2/20 0.54
TRPV6 Q9H1D0 1/20 0.50
CYP2A6 P11509 1/20 0.47
CYP19A1 P11511 4/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH1 P35367 2/20 0.45
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 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
SCHEMBL103152 0.87 LMNA (0.68) LMNATDP1CHRNA7TRPV6CYP2A6
SCHEMBL6201328 0.86 TAAR1 (0.56) LMNATDP1CHRNA7TAAR1ACHE
SCHEMBL18906028 0.84 CHRNA7 (0.58) LMNATDP1CHRNA7TAAR1CYP2A6
SCHEMBL6204785 0.84 TAAR1 (0.57) CHRNA7TAAR1TRPV6ALDH1A1SMN1; SMN2
SCHEMBL4938372 0.81 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL16301357 0.81 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL28824364 0.81 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL6203524 0.81 TAAR1 (0.50) CHRNA7TAAR1ALDH1A1ACHE
SCHEMBL6203586 0.81 TAAR1 (0.54) LMNATDP1TAAR1ALDH1A1ACHE
SCHEMBL415399 0.80 TAAR1 (0.65) TAAR1CYP2A6SMN1; SMN2HRH1ACHE

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 LMNA 1434/4885TDP1 4075/4885CHRNA7 124/4885

“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.