SCHEMBL16627481

SCHEMBL16627481

COc1cc(C)ccc1-n1cc(OC)c(=O)c(C(=O)N(C)OC)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
POLB P06746 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LPAR5 Q9H1C0 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ACHE P22303 2/20 0.33
PDE5A O76074 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL18399516 0.88 MEN1 (0.38) KMT2AMEN1POLBTDP1NPC1
SCHEMBL518976 0.88 LPAR5 (0.35) KMT2AMEN1POLBTDP1NPC1
SCHEMBL519532 0.82 PTPN1 (0.38) KMT2AMEN1NPC1RAB9ALPAR5
SCHEMBL16625716 0.81 KDM4E (0.40) KMT2AMEN1POLBTDP1MAPT
SCHEMBL519290 0.81 MAP2K1 (0.37) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL519296 0.80 PDE10A (0.49) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL14974158 0.79 KMT2A (0.54) KMT2AMEN1POLBTDP1NPC1
SCHEMBL519829 0.78 KCNN4 (0.37) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL519111 0.78 PDE10A (0.36) KMT2AMEN1POLBTDP1NPC1
SCHEMBL519246 0.78 KMT2A (0.42) KMT2AMEN1POLBTDP1NPC1

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-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1900/4885MEN1 3211/4885POLB 1307/4885

“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.