SCHEMBL1789115

SCHEMBL1789115

Nn1nc(C2(c3ccccc3)CC2)c2ccccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ OPRM1 P35372 4/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL30795504 0.76 KDM4E (0.36) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL1785744 0.71 ATM (0.50) KMT2AMEN1CYP2C9OPRM1DAO
SCHEMBL1788116 0.68 ALDH1A1 (0.57) KMT2AMEN1CYP2C9CYP2D6LMNA
SCHEMBL1787409 0.67 SMN1; SMN2 (0.47) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL1786624 0.67 NPSR1 (0.56) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL1788702 0.67 ALDH1A1 (0.40) KMT2AMEN1LMNABCAT1ALDH1A1
SCHEMBL1788291 0.67 BCAT1 (0.42) KMT2ABCAT1ALDH1A1KDM4EMAPK1
SCHEMBL1785783 0.66 CHRNA7 (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1
SCHEMBL1787363 0.65 TSHR (0.61) KMT2AMEN1CYP2C9LMNAALDH1A1
SCHEMBL13721812 0.65 LMNA (0.40) KMT2ACYP2C9LMNAALDH1A1KDM4E

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
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 KMT2A 474/4885MEN1 1418/4885CYP2C9 2382/4885

“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.

Send feedback