SCHEMBL2083809

SCHEMBL2083809

CC(=O)Nc1ccc(/N=C2\S/C(=C\N3CCc4ccccc43)C(=O)N2Cc2ccco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 2/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
LMNA P02545 6/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALDH1A1 P00352 9/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40

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
SCHEMBL12775400 1.00 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2080366 1.00 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2080370 1.00 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL12843890 0.85 MEN1 (0.43) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2082411 0.85 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL12775395 0.85 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2082431 0.85 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2082413 0.85 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL12449320 0.75 FAAH (0.47) FAAHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL2335343 0.75 KMT2A (0.43) FAAHMEN1KMT2ASMN1; SMN2HTT

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-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US claimed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-7902237-B2 nuclear receptor activity modulators; 4-(ethylamino)-3-{[(2Z,5Z)-5-{[methyl(phenyl)amino]methylidene}-4-oxo-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]amino}benzonitrile; diseases or disorders affected by abnormal cholesterol, triglyceride, or bile acid levels EXELIXIS, INC. (US) 2011-03-08 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-06-05 US 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-20080132519-A1 Heterocyclic Compounds As Pharmaceutical Agents CNR1, CNR2, TACR2 FAAH 413/4885MEN1 2621/4885KMT2A 4438/4885

“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.