SCHEMBL3058461

SCHEMBL3058461

O=C(Cl)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
ALDH1A1 P00352 6/20 0.64
POLB P06746 2/20 0.64
SLC9A1 P19634 1/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 3/20 0.61
HPGD P15428 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PDE7A Q13946 1/20 0.52
PDE3A Q14432 1/20 0.52
NPFFR1 Q9GZQ6 2/20 0.47
NPFFR2 Q9Y5X5 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL29941882 0.86 ALDH1A1 (0.70) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL376111 0.86 ALDH1A1 (0.70) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL4943598 0.82 SMN1; SMN2 (0.76) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL29352634 0.79 SLC9A1 (0.61) ALDH1A1SLC9A1GAASMN1; SMN2MAPT
SCHEMBL8348740 0.79 SLC9A1 (0.61) ALDH1A1SLC9A1GAASMN1; SMN2MAPT
SCHEMBL19657077 0.78 SLC9A1 (0.64) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL28269605 0.77 ALDH1A1 (0.75) LMNAALDH1A1SLC9A1GAASMN1; SMN2
SCHEMBL19354982 0.75 LMNA (0.78) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL3613648 0.74 LMNA (0.55) LMNAALDH1A1POLBSLC9A1GAA
SCHEMBL31462930 0.73 ALDH1A1 (0.42) LMNAALDH1A1HPGDNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents UNIVERSITY OF ROCHESTER (US) 2023-04-25 US disclosed
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER 2020-09-03 US disclosed
WO-2019040335-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER (US) 2019-02-28 WO disclosed
US-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-04-28 US disclosed
EP-3003317-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS University Of Rochester (US) 2016-04-13 EP disclosed
WO-2014197591-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS UNIVERSITY OF ROCHESTER (US) 2014-12-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents TNF, C9, CYP51A1 LMNA 955/4885ALDH1A1 1456/4885POLB 4198/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885ALDH1A1 1930/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885ALDH1A1 1930/4885POLB 3933/4885
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS TNF, C9, CYP51A1 LMNA 955/4885ALDH1A1 1456/4885POLB 4198/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885ALDH1A1 1930/4885POLB 3933/4885
US-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS CYP3A43, POR, CYP3A4 LMNA 1744/4885ALDH1A1 425/4885POLB 1165/4885

“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.