SCHEMBL5256097

SCHEMBL5256097

CC(CCc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HPGD P15428 4/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 5/20 0.53
▸ POLB P06746 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SLC13A5 Q86YT5 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ATM Q13315 1/20 0.50

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
SCHEMBL19987767 0.85 HPGD (0.61) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL18071077 0.83 SMN1; SMN2 (0.59) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL14131194 0.82 UBE2T (0.56) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL1412772 0.79 KDM4E (0.52) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL24198740 0.78 HPGD (0.63) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL1269672 0.77 SMN1; SMN2 (0.82) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL29690511 0.77 ALOX15 (0.51) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL23222252 0.77 UBE2T (0.50) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL11590976 0.76 HPGD (0.68) SMN1; SMN2HTTALOX15HPGDRAB9A
SCHEMBL26785759 0.76 ALOX15 (0.57) SMN1; SMN2HTTALOX15HPGDRAB9A

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
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — WO 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT SMN1; SMN2 8/4885HTT 46/4885ALOX15 1506/4885

“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.

Send feedback