SCHEMBL1993597

SCHEMBL1993597

O=Cc1ccc2c(cnn2Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
SCN9A Q15858 1/20 0.47
BRD4 O60885 2/20 0.46
KDM4C Q9H3R0 1/20 0.44
ERBB2 P04626 7/20 0.43
EGFR P00533 5/20 0.43
PTGS1 P23219 1/20 0.41
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4949213 0.81 BRD4 (0.53) RECQLBRD4KDM4CTDP1KMO
SCHEMBL8365861 0.79 CYP2A6 (0.42) RECQLALDH1A1SMN1; SMN2KMO
SCHEMBL3436601 0.79 CYP2A6 (0.46) ALDH1A1KMO
SCHEMBL8363568 0.78 ERBB2 (0.69) ERBB2EGFRMEN1RGS12GMNN
SCHEMBL6585729 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2
SCHEMBL17602113 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2
SCHEMBL870390 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2
SCHEMBL6585725 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2
SCHEMBL1129158 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2
SCHEMBL29992643 0.78 RECQL (0.66) RECQLSCN9ABRD4KDM4CERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
CN-102770429-A Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV 2012-11-07 CN disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 RECQL 4432/4885SCN9A 2846/4885BRD4 2454/4885
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R RECQL 2266/4885SCN9A 4703/4885BRD4 856/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R RECQL 2266/4885SCN9A 4703/4885BRD4 856/4885

“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.