SCHEMBL18514547

SCHEMBL18514547

CCc1ccc(OCc2c(F)cccc2NC(=S)OC)c(C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 8/20 0.34
MEN1 O00255 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18514546 0.92 KMT2A (0.33) PKMALDH1A1KMT2AMEN1NPC1
SCHEMBL18514541 0.91 KMT2A (0.32) PKMALDH1A1KMT2AMEN1NPC1
SCHEMBL18514552 0.91 KMT2A (0.38) PKMALDH1A1KMT2AMEN1NPC1
SCHEMBL18514543 0.90 SLC22A12 (0.35) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18514544 0.90 KMT2A (0.37) PKMALDH1A1KMT2AMEN1NPC1
SCHEMBL18514550 0.90 HTT (0.34) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18514542 0.89 MAPT (0.36) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18514549 0.89 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18515001 0.88 ALDH1A1 (0.38) PKMALDH1A1KMT2AMEN1NPC1
SCHEMBL18514932 0.88 PKM (0.35) PKMALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 PKM 1994/4885ALDH1A1 1238/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 PKM 3037/4885ALDH1A1 1416/4885KMT2A 1447/4885

“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.