SCHEMBL1380442

SCHEMBL1380442

Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
NR3C2 P08235 4/20 0.42
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
PTGES O14684 2/20 0.41
PTPRC P08575 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
SCHEMBL1381211 0.88 RAB9A (0.51) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL27692691 0.88 MAPT (0.51) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL1383948 0.87 MAPT (0.50) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL2031593 0.86 MAPT (0.49) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL4895864 0.86 FFAR1 (0.52) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL2442539 0.85 MAPT (0.57) MAPTLMNAALDH1A1RAB9AHPGD
SCHEMBL1383455 0.84 RAB9A (0.54) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL1381614 0.84 LMNA (0.54) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL1381883 0.84 NR3C2 (0.48) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL1379809 0.83 MAPT (0.56) KMT2AMAPTLMNAALDH1A1RAB9A

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
JP-4703649-B2 2011-06-15 JP claimed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KMT2A 4657/4885MAPT 2014/4885LMNA 4213/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 KMT2A 1448/4885MAPT 4352/4885LMNA 2007/4885

“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.