SCHEMBL1382771

SCHEMBL1382771

CCc1cccc(C)c1NC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NOTUM Q6P988 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 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
SCHEMBL1382297 0.95 HTT (0.46) HTTSMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL1381153 0.92 NOTUM (0.49) HTTSMN1; SMN2NOTUMMAPTALDH1A1
SCHEMBL1379747 0.87 NOTUM (0.53) HTTSMN1; SMN2NOTUMMAPTALDH1A1
SCHEMBL1380305 0.87 NOTUM (0.48) NOTUMMAPTRIPK1POLB
SCHEMBL1381468 0.86 LMNA (0.46) HTTSMN1; SMN2KMT2AHSD17B10NOTUM
SCHEMBL1380096 0.85 MAPT (0.43) KMT2ANOTUMMAPTRIPK1TP53
SCHEMBL1383195 0.85 NOTUM (0.49) HTTSMN1; SMN2KMT2ANOTUMMAPT
SCHEMBL1381600 0.84 NOTUM (0.42) HTTSMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL1379901 0.84 ALDH1A1 (0.46) HTTSMN1; SMN2NOTUMMAPTALDH1A1
SCHEMBL2439146 0.84 NOTUM (0.50) HTTSMN1; SMN2HSD17B10NOTUMMAPT

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
JP-4703649-B2 2011-06-15 JP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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 HTT 854/4885SMN1; SMN2 3536/4885MEN1 4434/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 HTT 4304/4885SMN1; SMN2 4731/4885MEN1 2616/4885

“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.