SCHEMBL14859645

SCHEMBL14859645

O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.66
PTPN12 Q05209 1/20 0.56
PTPN22 Q9Y2R2 1/20 0.56
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
RECQL P46063 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPK1 P28482 2/20 0.53
MCL1 Q07820 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
BCL2L1 Q07817 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53

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
SCHEMBL14867614 1.00 MAP3K5 (0.66) MAP3K5PTPN12PTPN22MEN1ALDH1A1
SCHEMBL14859642 1.00 MAP3K5 (0.66) MAP3K5PTPN12PTPN22MEN1ALDH1A1
SCHEMBL3901300 0.90 MAPT (0.67) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL3901304 0.90 MAPT (0.67) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL46219 0.88 ALDH1A1 (0.61) MEN1ALDH1A1POLBKMT2AMAPT
SCHEMBL14860651 0.87 HIF1AN (0.64) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL5991871 0.87 HIF1AN (0.64) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL3900339 0.87 MAP3K5 (0.62) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL5992796 0.87 MAP3K5 (0.62) MAP3K5MEN1ALDH1A1POLBKMT2A
SCHEMBL14860649 0.87 HIF1AN (0.64) MAP3K5MEN1ALDH1A1POLBKMT2A

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-20210228548-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2021-07-29 US claimed
EP-3827827-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2021-06-02 EP claimed
WO-2020022789-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT (주) 에빅스젠 2020-01-30 WO claimed
EP-2583969-A2 NOVEL RHODANINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF AIDS CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENTS Avixgen Inc. (KR) 2013-04-24 EP claimed
US-20130096125-A1 NOVEL RHODANINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PAHRMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF AIDS CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENTS AVIXGEN INC. (KR) 2013-04-18 US claimed
US-20210228548-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2021-07-29 US disclosed
EP-3827827-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2021-06-02 EP disclosed
WO-2020022789-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT (주) 에빅스젠 2020-01-30 WO disclosed
US-8759536-B2 Rhodanine derivatives, method for preparing same, and pharmaceutical composition for the prevention or treatment of aids containing the rhodanine derivatives as active ingredients AVIXGEN INC. (KR) 2014-06-24 US disclosed
EP-2583969-A2 NOVEL RHODANINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF AIDS CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENTS Avixgen Inc. (KR) 2013-04-24 EP disclosed
US-20130096125-A1 NOVEL RHODANINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PAHRMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF AIDS CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENTS AVIXGEN INC. (KR) 2013-04-18 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-20130096125-A1 NOVEL RHODANINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PAHRMACEUTICAL COMPOSITION FOR THE PREVENTION OR TREATMENT OF AIDS CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENTS LRAT, MRM1, ADH7 MAP3K5 3482/4885PTPN12 4758/4885PTPN22 4685/4885
US-20210228548-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING, ALLEVIATING OR TREATING OSTEOARTHRITIS, CONTAINING RHODANINE DERIVATIVE AS ACTIVE INGREDIENT COL2A1, COL1A1, SYVN1 MAP3K5 3896/4885PTPN12 3779/4885PTPN22 4224/4885

“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.