SCHEMBL5507986

SCHEMBL5507986

CC(=O)Nc1ccc2c(c1)cc(C(=O)c1ccc(C)cc1)n2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
MAPT P10636 5/20 0.54
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
CHRNA7 P36544 1/20 0.44
BRPF1 P55201 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL5507402 0.89 HSD17B10 (0.50) THRBMAPTPOLBSMN1; SMN2NPC1
SCHEMBL5504692 0.79 MCL1 (0.64) THRBMAPTRAB9ATP53HSD17B10
SCHEMBL5507391 0.77 CLK1 (0.46) THRBMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL5509927 0.76 KDM4E (0.66) THRBMAPTSMN1; SMN2TP53HSD17B10
SCHEMBL8267145 0.74 SMN1; SMN2 (0.42) THRBMAPTPOLBSMN1; SMN2TP53
SCHEMBL15222325 0.72 THRB (0.73) THRBMAPTPOLBNPC1RAB9A
SCHEMBL19566616 0.70 TUBB4A (0.50) THRBMAPTPOLBTP53LMNA
SCHEMBL5509218 0.69 SRD5A2 (0.73) SMN1; SMN2NPC1RAB9AHSD17B10TDP1
SCHEMBL17919672 0.69 TDP1 (0.64) THRBMAPTPOLBSMN1; SMN2NPC1
SCHEMBL27400764 0.68 MCL1 (0.57) THRBMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN disclosed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 THRB 2278/4885MAPT 87/4885POLB 4285/4885

“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.