SCHEMBL5756029

SCHEMBL5756029

COc1cc(-n2cccn2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 1/20 0.45
MAOB P27338 1/20 0.44
PDK2 Q15119 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL27932708 0.85 NOTUM (0.49) PTPN1KDM4EALDH1A1MAPTNOTUM
SCHEMBL13347571 0.83 NOTUM (0.46) PTPN1KDM4EALDH1A1MEN1MAPT
SCHEMBL16051759 0.82 NOTUM (0.42) PTPN1KDM4EALDH1A1NOTUMPDK2
SCHEMBL8216643 0.81 NOTUM (0.53) PTPN1KDM4EALDH1A1MAPTNOTUM
SCHEMBL15475872 0.81 PTPN1 (0.49) PTPN1KDM4EALDH1A1NOTUMPDK2
SCHEMBL8114245 0.81 NOTUM (0.45) PTPN1KDM4EALDH1A1MAPTNOTUM
SCHEMBL2188351 0.81 NLRP3 (0.45) PTPN1KDM4EALDH1A1NOTUMHCRTR1
SCHEMBL13310516 0.81 PTPN1 (0.43) PTPN1KDM4EALDH1A1LMNANOTUM
SCHEMBL14556322 0.81 SMN1; SMN2 (0.47) PTPN1KDM4EALDH1A1MEN1LMNA
SCHEMBL5064726 0.80 ALDH1A1 (0.48) PTPN1KDM4EALDH1A1LMNAMAPT

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 PTPN1 3608/4885KDM4E 2439/4885ALDH1A1 792/4885

“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.