SCHEMBL8050653

SCHEMBL8050653

CCc1nnc(-c2ccc(O)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
MAPT P10636 2/20 0.50
EGFR P00533 1/20 0.49
POLB P06746 3/20 0.49
NOTUM Q6P988 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
HCAR2 Q8TDS4 1/20 0.46
NPC1 O15118 3/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44
HPGD P15428 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL156353 0.83 KMT2A (0.59) MAPTEGFRPOLBTSHRUSP2
SCHEMBL2388693 0.82 NOTUM (0.54) MAPTPOLBNOTUMTSHRUSP2
SCHEMBL25916050 0.81 ALDH1A1 (0.68) PTGS2MAPTEGFRPOLBNOTUM
SCHEMBL13572955 0.81 TSHR (0.73) MAPTEGFRPOLBTSHRUSP2
SCHEMBL14438048 0.81 KMT2A (0.62) PTGS2MAPTEGFRPOLBNOTUM
SCHEMBL3032013 0.81 MAPT (0.49) MAPTPOLBNOTUMTSHRUSP2
SCHEMBL7260633 0.81 NPC1 (0.64) MAPTPOLBNOTUMTSHRUSP2
SCHEMBL8589773 0.81 NPC1 (0.61) PTGS2MAPTPOLBNOTUMTSHR
SCHEMBL8235977 0.81 ALDH1A1 (0.67) MAPTPOLBNOTUMTSHRSMN1; SMN2
SCHEMBL12420283 0.81 MAPT (0.45) MAPTPOLBNOTUMTSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
WO-2015165340-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE 南京明德新药研发股份有限公司 2015-11-05 WO disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
EP-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP 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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 PTGS2 2017/4885MAPT 3673/4885EGFR 2698/4885

“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.