SCHEMBL7129471

SCHEMBL7129471

O=C(CC(=O)c1cn(CCN2CCN(Cc3ccccc3)CC2)cn1)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ACHE P22303 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ KDM5A P29375 2/20 0.42
▸ KDM5B Q9UGL1 2/20 0.42
▸ KDM4C Q9H3R0 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PRKAB2 O43741 2/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41

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
SCHEMBL7130008 0.89 KDM2B (0.42) L3MBTL1KDM2BKDM5AKDM5BKDM4C
SCHEMBL7077275 0.88 KDM2B (0.40) KMT2AMEN1TSHRKDM2BALDH1A1
SCHEMBL7084804 0.82 KDM4C (0.50) ALDH1A1KDM5AKDM5BKDM4CCYP2D6
SCHEMBL7077297 0.79 KDM4C (0.54) SMN1; SMN2ALDH1A1KDM5AKDM5BKDM4C
SCHEMBL7077600 0.79 PTPN1 (0.42) KMT2AMEN1LMNAMAPK1SMN1; SMN2
SCHEMBL7587974 0.78 LMNA (0.43) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7081681 0.78 CYP2E1 (0.48) KDM5AKDM5BKDM4CCYP2D6CYP2C9
SCHEMBL7085191 0.74 KDM2B (0.43) KMT2AMEN1TSHRL3MBTL1KDM2B
SCHEMBL7078797 0.74 SIRT2 (0.40) KMT2AMEN1MAPK1SMN1; SMN2KDM5A
SCHEMBL7077359 0.72 KDM2B (0.41) KMT2AMEN1LMNASMN1; SMN2KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 — — US claimed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 — — US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 — — EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 — — EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 — — WO 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 KMT2A 3589/4885MEN1 4377/4885LMNA 3637/4885

“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.

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