SCHEMBL7602089

SCHEMBL7602089

COC(=O)c1ccc(-c2nc3cc(C)ccc3o2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.81
MAPT P10636 8/20 0.81
RAB9A P51151 8/20 0.81
HPGD P15428 8/20 0.81
KDM4E B2RXH2 8/20 0.81
ALDH1A1 P00352 8/20 0.81
HSD17B10 Q99714 8/20 0.81
NPC1 O15118 7/20 0.81
NFKB1 P19838 2/20 0.81
NFKB2 Q00653 2/20 0.81
RELA Q04206 2/20 0.81
ATM Q13315 1/20 0.81
TP53 P04637 6/20 0.75
HSPD1 P10809 1/20 0.64
PTPN2 P17706 1/20 0.64
PTPN1 P18031 1/20 0.64
PTPN5 P54829 1/20 0.64
HSPE1 P61604 1/20 0.64
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59

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
SCHEMBL1258969 0.93 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL9767559 0.93 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL11544615 0.92 MAPT (0.73) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL6707325 0.92 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL7610004 0.91 MAPT (0.81) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL12942543 0.86 RAB9A (1.00) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL11367720 0.84 SMN1; SMN2 (0.70) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL9608562 0.84 RAB9A (0.68) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL2242268 0.84 MAPT (0.70) SMN1; SMN2MAPTRAB9AHPGDKDM4E
SCHEMBL5638115 0.83 MAPT (0.70) SMN1; SMN2MAPTRAB9AHPGDKDM4E

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-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4637/4885MAPT 3230/4885RAB9A 1313/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4634/4885MAPT 3250/4885RAB9A 1482/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4634/4885MAPT 3250/4885RAB9A 1482/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4634/4885MAPT 3250/4885RAB9A 1482/4885

“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.