SCHEMBL5507402

SCHEMBL5507402

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
AHR P35869 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PTGES O14684 1/20 0.41

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
SCHEMBL5507986 0.89 THRB (0.59) HSD17B10ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL5508959 0.79 MCL1 (0.62) HSD17B10KDM4EALDH1A1HPGDTP53
SCHEMBL5505981 0.78 KDM4E (0.50) HSD17B10KDM4EALDH1A1HPGDTP53
SCHEMBL8267145 0.73 SMN1; SMN2 (0.42) HSD17B10KDM4EALDH1A1HPGDTP53
SCHEMBL2732524 0.70 KDM4E (0.76) HSD17B10KDM4EALDH1A1HPGDTP53
SCHEMBL5507214 0.70 SRD5A2 (0.71) HSD17B10KDM4EALDH1A1HPGDNPC1
SCHEMBL7785693 0.70 MAPT (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1753885 0.69 KMT2A (0.81) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2615418 0.69 KMT2A (0.81) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27400764 0.68 MCL1 (0.57) HSD17B10KDM4EALDH1A1HPGDTP53

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 9 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
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 HSD17B10 361/4885KDM4E 3234/4885ALDH1A1 934/4885

“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.