SCHEMBL3054745

SCHEMBL3054745

O=C(Cl)c1ccc(-c2cccs2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 3/20 0.69
LMNA P02545 2/20 0.69
GAA P10253 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
GLA P06280 1/20 0.69
MAPT P10636 1/20 0.69
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
HDAC1 Q13547 3/20 0.67
MEN1 O00255 1/20 0.67
TP53 P04637 1/20 0.67
POLB P06746 1/20 0.67
HPGD P15428 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
NFKB2 Q00653 1/20 0.67
KMT2A Q03164 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
SCHEMBL7870469 0.85 ALDH1A1 (0.89) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL9447521 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1761399 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL5999214 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL9447598 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL4319368 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL5999215 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL498577 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL4280023 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL8572921 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023074408-A1 THIOPHENE COMPOUND, METHOD FOR SYNTHESIZING SAME, AND COMPOSITION CONTAINING SAID THIOPHENE COMPOUND 四国化成工業株式会社 2023-05-04 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-6312811-B1 Photochromic naphtho [2,1-b]pyran compounds containing bithienyl or terthienyl substituents, process for their manufacture, and photochromic materials and articles obtained ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-11-06 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 ALDH1A1 3346/4885KDM4E 2962/4885LMNA 4352/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885LMNA 1113/4885

“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.