SCHEMBL17829443

SCHEMBL17829443

O=S(=O)(Oc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
S1PR1 P21453 1/20 0.36
SDHB P21912 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL17829445 1.00 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829441 0.95 MAOB (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829444 0.95 MAOB (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17829436 0.94 JAK2 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22064705 0.91 ACACA (0.36) MEN1KMT2AHPGDNPSR1LMNA
SCHEMBL21131728 0.89 CA1 (0.35) MEN1KMT2AHPGDNPSR1LMNA
SCHEMBL17829434 0.89 JAK2 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL19939384 0.86 HPGD (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL19939383 0.86 GPR84 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL24780974 0.84 LMNA (0.41) MEN1KMT2AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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 (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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 MEN1 2678/4885KMT2A 536/4885HPGD 3263/4885

“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.