SCHEMBL20560735

SCHEMBL20560735

O=[N+]([O-])c1ccc(F)c(C(=S)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HIF1A Q16665 1/20 0.53
RORC P51449 1/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR35 Q9HC97 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20560158 0.86 ALDH1A1 (0.49) ALDH1A1HIF1ARORCMAPTKMT2A
SCHEMBL284069 0.84 ALDH1A1 (0.55) ALDH1A1HIF1ARORCMAPTKMT2A
SCHEMBL195145 0.79 ALDH1A1 (0.59) ALDH1A1HIF1AMAPTKMT2AMEN1
SCHEMBL1654660 0.79 ALDH1A1 (0.59) ALDH1A1HIF1AMAPTKMT2AMEN1
SCHEMBL16960109 0.79 ALDH1A1 (0.56) ALDH1A1HIF1ARORCMAPTKMT2A
SCHEMBL13844206 0.77 KMT2A (0.60) ALDH1A1HIF1AKMT2AMEN1TDP1
SCHEMBL2832 0.77 ALDH1A1 (0.55) ALDH1A1HIF1ARORCMAPTKMT2A
Silver SCHEMBL887047 0.77 ALDH1A1 (0.55) ALDH1A1HIF1ARORCMAPTKMT2A
SCHEMBL4485751 0.77 KMT2A (0.60) ALDH1A1HIF1AKMT2AMEN1TDP1
SCHEMBL887048 0.77 ALDH1A1 (0.57) ALDH1A1HIF1AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 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 (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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885HIF1A 1538/4885RORC 406/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885HIF1A 1538/4885RORC 406/4885

“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.