SCHEMBL509686

SCHEMBL509686

CCc1cc(CC)c(-c2c(O)cnn(C)c2=O)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.36
ITGB7 P26010 3/20 0.36
ITGB1 P05556 1/20 0.36
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
BRD9 Q9H8M2 7/20 0.31
BRD4 O60885 6/20 0.31
KAT2B Q92831 2/20 0.31
BACE1 P56817 1/20 0.31
HSPA5 P11021 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL466423 0.75 BRD4 (0.42) ITGA4ITGB7ITGB1BRD9BRD4
SCHEMBL10288222 0.75 LMNA (0.33) ESR1ESR2HSPA5MAPTALDH1A1
SCHEMBL510385 0.73 ACLY (0.35) ITGA4ITGB7ITGB1BRD9BRD4
SCHEMBL15333888 0.72 IDO1 (0.35) ESR1ESR2HSPA5
SCHEMBL15334330 0.71 KDM4C (0.34) HSPA5
SCHEMBL15334271 0.71 CTSK (0.31) HSPA5
SCHEMBL10288372 0.71 NPC1 (0.34) HSPA5MAPTPKMALDH1A1
SCHEMBL15086653 0.70 SMN1; SMN2 (0.34) MAPTALDH1A1NPSR1
SCHEMBL15344238 0.69 MEN1 (0.32) GAA
SCHEMBL15334387 0.69 MEN1 (0.32) GAA

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
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 ITGA4 2718/4885ITGB7 1974/4885ITGB1 1365/4885

“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.