SCHEMBL2338592

SCHEMBL2338592

CN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)Sc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.77
▸ MEN1 O00255 15/20 0.77
▸ SMN1; SMN2 Q16637 3/20 0.77
▸ POLB P06746 7/20 0.57
▸ MAPT P10636 4/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ MMP13 P45452 2/20 0.51
▸ ALOX15 P16050 2/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ FGB P02675 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL2338597 1.00 KMT2A (0.77) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL11555123 0.87 MEN1 (1.00) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL11278635 0.87 MEN1 (1.00) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL2333243 0.86 MEN1 (0.81) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL15995453 0.86 MEN1 (0.81) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL2333246 0.86 MEN1 (0.81) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL8606929 0.84 MEN1 (0.61) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL8606927 0.84 MEN1 (0.61) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL17069352 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL9054686 0.83 MEN1 (0.60) KMT2AMEN1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 — — EP disclosed
US-20060252800-A1 Anti-leishmania agent JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-11-09 — — US disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 — — US disclosed
EP-1623981-A1 ANTI-LEISHMANIA AGENT Japan Science and Technology Corporation (JP) 2006-02-08 — — EP disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 — — EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 — — US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 — — US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 — — WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 — — US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — 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 (3 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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KMT2A 2838/4885MEN1 4537/4885SMN1; SMN2 4858/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KMT2A 2838/4885MEN1 4537/4885SMN1; SMN2 4858/4885
US-20060252800-A1 Anti-leishmania agent RPL17, MKI67, RPS17 KMT2A 793/4885MEN1 3444/4885SMN1; SMN2 3165/4885

“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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