SCHEMBL17829441

SCHEMBL17829441

O=S(=O)(Oc1cccc2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
NTSR1 P30989 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
DHODH Q02127 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 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
SCHEMBL17829444 1.00 MAOB (0.38) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL17829443 0.95 MEN1 (0.37) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL17829445 0.95 MEN1 (0.37) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL17829434 0.95 JAK2 (0.38) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL17829436 0.89 JAK2 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL22064705 0.86 ACACA (0.36) MEN1KMT2AHPGDJAK2JAK3
SCHEMBL21131728 0.86 CA1 (0.35) MEN1KMT2AHPGDJAK2JAK3
SCHEMBL19939383 0.85 GPR84 (0.40) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL25270097 0.83 KMT2A (0.38) MAOBMAOAMEN1KMT2AHPGD
SCHEMBL19939384 0.83 HPGD (0.36) MAOBMAOAMEN1KMT2AHPGD

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 MAOB 1163/4885MAOA 779/4885MEN1 2678/4885

“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.