SCHEMBL7085191

SCHEMBL7085191

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ FABP6 P51161 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL7077275 0.85 KDM2B (0.40) KDM2BALDH1A1POLBMEN1TSHR
SCHEMBL7077359 0.84 KDM2B (0.41) KDM2BALDH1A1KDM4CPOLBUSP30
SCHEMBL7077600 0.74 PTPN1 (0.42) KDM4CMEN1KMT2AMAPT
SCHEMBL7129471 0.74 KMT2A (0.43) KDM2BALDH1A1L3MBTL1KDM4CMEN1
SCHEMBL7130008 0.73 KDM2B (0.42) KDM2BL3MBTL1KDM4C
SCHEMBL7084804 0.73 KDM4C (0.50) ALDH1A1KDM4C
SCHEMBL7077297 0.73 KDM4C (0.54) ALDH1A1KDM4CPOLB
SCHEMBL7081681 0.72 CYP2E1 (0.48) KDM4C
SCHEMBL7078797 0.70 SIRT2 (0.40) KDM4CMEN1KMT2AMAPT
SCHEMBL27726114 0.68 ALDH1A1 (0.50) ALDH1A1L3MBTL1FABP6POLBNPSR1

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 2912/4885ALDH1A1 145/4885L3MBTL1 1944/4885

“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