SCHEMBL7077359

SCHEMBL7077359

CC(C)(C)NC(=O)N1CCC(Cn2cnc(C(=O)CC(=O)c3cccc(Cc4ccccc4)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RX3 P56373 2/20 0.36
▸ FAAH O00519 2/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7085191 0.84 KDM2B (0.43) KDM2BKDM4CUSP30MEN1KMT2A
SCHEMBL7497949 0.82 P2RX3 (0.37) CTDSP1TDP1P2RX3FAAHCCR3
SCHEMBL7077600 0.73 PTPN1 (0.42) KDM4CTDP1LMNAMEN1KMT2A
SCHEMBL7129471 0.72 KMT2A (0.43) KDM2BKDM4CFAAHLMNAMEN1
SCHEMBL7130008 0.72 KDM2B (0.42) KDM2BKDM4C
SCHEMBL7084804 0.72 KDM4C (0.50) KDM4CALDH1A1
SCHEMBL7077297 0.71 KDM4C (0.54) KDM4CPOLBALDH1A1SMN1; SMN2
SCHEMBL7077275 0.71 KDM2B (0.40) KDM2BMEN1KMT2APOLBALDH1A1
SCHEMBL7081681 0.70 CYP2E1 (0.48) KDM4C
SCHEMBL7078797 0.70 SIRT2 (0.40) KDM4CTDP1MEN1KMT2ASMN1; SMN2

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 KDM2B 2912/4885KDM4C 1486/4885CTDSP1 269/4885

“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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