SCHEMBL2029016

SCHEMBL2029016

Cc1cc(C(=O)Cl)c(C)n1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL2028555 0.87 NOTUM (0.68) NOTUMCRHBPCRHR2CNR1CNR2
Hydrochloric Acid SCHEMBL2029017 0.86 NOTUM (0.67) NOTUMCRHBPCRHR2CNR1CNR2
SCHEMBL30585406 0.77 SMN1; SMN2 (0.59) CRHBPCRHR2KDM4EMAPTLMNA
SCHEMBL23524518 0.77 SMN1; SMN2 (0.59) CRHBPCRHR2KDM4EMAPTLMNA
SCHEMBL30585410 0.76 SMN1; SMN2 (0.61) CRHBPCRHR2KDM4EMAPTLMNA
SCHEMBL23524562 0.76 SMN1; SMN2 (0.61) CRHBPCRHR2KDM4EMAPTLMNA
SCHEMBL2025122 0.76 NOTUM (0.52) NOTUMLMNAALDH1A1
SCHEMBL23524570 0.74 SMN1; SMN2 (0.62) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL30585409 0.74 SMN1; SMN2 (0.62) KDM4EMAPTLMNAALDH1A1HPGD
SCHEMBL1385651 0.74 CNR1 (0.53) CRHBPCRHR2KDM4EMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 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

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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885CRHBP 250/4885CRHR2 15/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NOTUM 1646/4885CRHBP 250/4885CRHR2 15/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NOTUM 1054/4885CRHBP 160/4885CRHR2 135/4885

“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.