SCHEMBL3049323

SCHEMBL3049323

Cn1ccnc1SCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALPL P05186 1/20 0.48
ALPG P10696 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL3046103 0.89 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL3764555 0.83 RAB9A (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
Hydrochloric Acid SCHEMBL7423557 0.81 RAB9A (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL18381389 0.81 KMT2A (0.59) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10403280 0.80 MAPT (0.55) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL7455902 0.79 KDM4E (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL9805593 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL24866430 0.77 KDM4E (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL15219972 0.77 KDM4E (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10403279 0.76 MAPT (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 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-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 ALDH1A1 477/4885SMN1; SMN2 1471/4885RAB9A 2731/4885

“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.