SCHEMBL2337954

SCHEMBL2337954

CN1C(=S)N(Cc2ccccc2)C(=O)/C1=C1/Sc2ccccc2N1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.56
▸ MEN1 O00255 10/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 7/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 3/20 0.45
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL2337957 1.00 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14596629 0.86 KMT2A (0.72) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2338592 0.81 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2338597 0.81 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL15370909 0.76 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2336370 0.72 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2340817 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2340814 0.72 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2336372 0.72 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13069488 0.72 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTLMNA

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 10 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
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 — — EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 — — US 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 (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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KMT2A 2838/4885MEN1 4537/4885ALDH1A1 2884/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 KMT2A 2838/4885MEN1 4537/4885ALDH1A1 2884/4885

“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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