SCHEMBL2968804

SCHEMBL2968804

CC(=O)Nc1ccc(Sc2cc(C)cc(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ PKM P14618 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ MB P02144 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
SCHEMBL2968585 0.85 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18653824 0.82 PKM (0.62) KMT2AMEN1TDP1PKMCYP2C19
SCHEMBL14384400 0.81 TDP1 (0.77) KMT2AMEN1TDP1PKMCYP2C19
SCHEMBL27733790 0.81 ALDH1A1 (0.61) KMT2AMEN1TDP1PKMCYP2C19
SCHEMBL3959278 0.80 SMN1; SMN2 (0.64) KMT2AMEN1TDP1CYP2C19GAA
SCHEMBL2957229 0.78 KMT2A (0.54) KMT2AMEN1TDP1CYP2C19ALDH1A1
SCHEMBL11646975 0.78 NPC1 (0.53) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL7188754 0.77 TSHR (0.58) KMT2AMEN1TDP1GAAALDH1A1
SCHEMBL11648279 0.77 KMT2A (0.52) KMT2AMEN1PKMCYP2C19ALDH1A1
SCHEMBL11647056 0.77 HDAC1 (0.49) KMT2AMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 — — CN disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 — — US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885TDP1 4336/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885TDP1 4336/4885

“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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