SCHEMBL1991644

SCHEMBL1991644

S=C=Nc1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.46
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
TNF P01375 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HCRTR1 O43613 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10533369 0.81 RAB9A (0.47) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL31314989 0.78 RAB9A (0.52) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1233047 0.78 RAB9A (0.52) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6414795 0.75 RAB9A (0.48) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8491156 0.73 RAB9A (0.49) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3083786 0.72 PSMB8 (0.68) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3071072 0.70 RAB9A (0.47) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11236137 0.70 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL3071075 0.70 RAB9A (0.47) PSMB8RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL559230 0.70 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933841-A ANTHELMINTICS CIBA-GEIGY CORPORATION (US) 1976-01-20 US claimed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
CN-102224423-B Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-10-22 CN disclosed
CN-102224423-A Ligands for aggregated tau molecules WISTA LAB LTD 2011-10-19 CN disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
US-4022781-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US disclosed
US-4022781-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US disclosed
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 US disclosed
US-3969351-A ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3969351-A ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3969351-A ANTHELMINTIC E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3934017-A Anthelmintic composition and method utilizing isothiocyanobenzazoles active ingredients CIBA-GEIGY CORPORATION (US) 1976-01-20 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 PSMB8 3217/4885RAB9A 2622/4885NPC1 1265/4885

“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.