SCHEMBL913313

SCHEMBL913313

COc1cccc(-c2nc3sc4c(c3c(=O)o2)CCCC4)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.70
MAPT P10636 9/20 0.70
ALDH1A1 P00352 6/20 0.70
RAB9A P51151 6/20 0.70
HPGD P15428 6/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
CASP3 P42574 4/20 0.67
KMT2A Q03164 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
PLA2G1B P04054 1/20 0.67
BLM P54132 1/20 0.67
CASP6 P55212 1/20 0.67
CASP8 Q14790 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67

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
SCHEMBL913965 0.87 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL912737 0.83 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL913600 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL913332 0.78 MAPT (0.72) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL3916315 0.78 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL15987639 0.77 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL914213 0.76 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL914016 0.76 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL15987318 0.75 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1RAB9AHPGD
SCHEMBL25195367 0.75 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1RAB9AHPGD

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-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US claimed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 EP claimed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 EP disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 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 (1 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 SMN1; SMN2 3806/4885MAPT 2054/4885ALDH1A1 584/4885

“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.