SCHEMBL17629367

SCHEMBL17629367

NC(=O)c1sc([N+](=O)[O-])cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
IKBKB O14920 2/20 0.35
CHUK O15111 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL28218356 0.73 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4MAPTALDH1A1LMNA
SCHEMBL7991729 0.72 IKBKB (0.42) SMN1; SMN2CYP3A4HTTALDH1A1LMNA
SCHEMBL30468111 0.71 SMN1; SMN2 (0.33) SMN1; SMN2CYP3A4MAPTHTTALDH1A1
SCHEMBL31150140 0.71 MAPT (0.61) SMN1; SMN2CYP3A4MAPTHTTALDH1A1
SCHEMBL17629359 0.71 IKBKB (0.43) CYP3A4MAPTALDH1A1IKBKBCHUK
SCHEMBL28650272 0.69 IKBKB (0.39) CYP3A4MAPTHTTALDH1A1TSHR
SCHEMBL1845394 0.69 LMNA (0.35) SMN1; SMN2CYP3A4MAPTALDH1A1LMNA
SCHEMBL1845392 0.69 LMNA (0.35) SMN1; SMN2CYP3A4MAPTALDH1A1LMNA
SCHEMBL16737121 0.69 GPR35 (0.36) SMN1; SMN2CYP3A4MAPTHTTALDH1A1
SCHEMBL10627352 0.69 ALDH1A1 (0.45) SMN1; SMN2CYP3A4MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071995-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-11 US disclosed
EP-3197889-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma AG (DE) 2018-08-01 EP disclosed
EP-3197889-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma AG (DE) 2018-08-01 EP disclosed
US-20180127401-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-20180127401-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-20180127401-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
EP-3197889-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
WO-2016046156-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
WO-2016046156-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO 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-20180127401-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP SMN1; SMN2 3201/4885CYP3A4 66/4885MAPT 4488/4885
US-10071995-B2 Substituted oxopyridine derivatives OGFOD1, PNPO, VASP SMN1; SMN2 3201/4885CYP3A4 66/4885MAPT 4488/4885

“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.