SCHEMBL1650332

SCHEMBL1650332

C=C1c2c(Cl)ccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)/C(=C(\N)O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 14/20 0.62
KDM4E B2RXH2 11/20 0.62
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
USP2 O75604 8/20 0.62
HSD17B10 Q99714 8/20 0.62
RECQL P46063 7/20 0.62
HPGD P15428 7/20 0.62
ALDH1A1 P00352 7/20 0.62
THRB P10828 6/20 0.62
MAPT P10636 6/20 0.62
LMNA P02545 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CASP7 P55210 2/20 0.62
CASP1 P29466 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NR1I2 O75469 3/20 0.55
MC4R P32245 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
POLB P06746 4/20 0.54

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
SCHEMBL12841672 1.00 TDP1 (0.62) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL3446 1.00 TDP1 (0.62) TDP1KDM4EMEN1KMT2AUSP2
Sulfosalicylic SCHEMBL23359126 0.88 TDP1 (0.81) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL4015 0.86 TDP1 (0.73) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL23247761 0.85 TDP1 (0.78) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL29487299 0.85 TDP1 (0.78) TDP1KDM4EMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL20398184 0.84 TDP1 (0.71) TDP1KDM4EMEN1KMT2AUSP2
Sulfosalicylic SCHEMBL29674900 0.77 TDP1 (1.00) TDP1KDM4EMEN1KMT2AUSP2
Isoniazid SCHEMBL5791571 0.76 TDP1 (0.61) TDP1KDM4EMEN1KMT2AUSP2
SCHEMBL23005369 0.73 TDP1 (0.73) TDP1KDM4EMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463195-B2 Dissolution of amyloid fibrils by flavonoids and other compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-11 US disclosed
US-9463195-B2 Dissolution of amyloid fibrils by flavonoids and other compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-11 US disclosed
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-13 US disclosed
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-13 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20100048510-A1 DISSOLUTION OF AMYLOID FIBRILS BY FLAVONOIDS AND OTHER COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-20100048510-A1 DISSOLUTION OF AMYLOID FIBRILS BY FLAVONOIDS AND OTHER COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 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-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM PLOD3, MYOC, SLTM TDP1 1111/4885KDM4E 2152/4885MEN1 4287/4885
US-20100048510-A1 DISSOLUTION OF AMYLOID FIBRILS BY FLAVONOIDS AND OTHER COMPOUNDS B2M, APP, BACE2 TDP1 2698/4885KDM4E 3921/4885MEN1 1600/4885

“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.