SCHEMBL5756023

SCHEMBL5756023

C[C@H](Oc1cccc2ncccc12)C(=O)O.[Na]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 1/20 0.45
MEN1 O00255 1/20 0.44
CACNA2D1 P54289 10/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6274946 0.99 KMT2A (0.50) KMT2AFABP5MEN1CACNA2D1PPARG
SCHEMBL3133596 0.99 KMT2A (0.50) KMT2AFABP5MEN1CACNA2D1PPARG
SCHEMBL5756012 0.97 KMT2A (0.49) KMT2AFABP5MEN1CACNA2D1PPARG
SCHEMBL20045399 0.88 KMT2A (0.51) KMT2APPARGPPARA
SCHEMBL6313497 0.84 F9 (0.50) KMT2AFABP5MEN1CACNA2D1SMN1; SMN2
SCHEMBL5757213 0.84 F9 (0.50) KMT2AFABP5MEN1CACNA2D1SMN1; SMN2
SCHEMBL5756016 0.84 MEN1 (0.43) KMT2AFABP5MEN1CACNA2D1
SCHEMBL13318742 0.81 CACNA2D1 (0.42) KMT2AFABP5MEN1CACNA2D1
SCHEMBL2586363 0.80 CACNA2D1 (0.49) KMT2AMEN1CACNA2D1KDM4E
SCHEMBL5790845 0.78 POLB (0.60) KMT2AMEN1SMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 US disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 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-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 KMT2A 2921/4885FABP5 1995/4885MEN1 4800/4885

“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.