SCHEMBL9986381

SCHEMBL9986381

Cc1ncsc1CCOC(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
TRPA1 O75762 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL12023202 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL12023040 0.86 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL23028613 0.85 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL3508362 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL23028738 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL9985419 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL891367 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL28249445 0.81 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL23028644 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ACYP2C19KDM4E
SCHEMBL23028595 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ACYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281902-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING SHANGHAI JIAO TONG UNIVERSITY (CN) 2022-09-08 US disclosed
WO-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 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 (2 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-20220281902-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING TFAM, GOT2, SHMT2 ALDH1A1 2151/4885MAPT 1317/4885KMT2A 2425/4885
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 ALDH1A1 1585/4885MAPT 4693/4885KMT2A 4455/4885

“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.