SCHEMBL3596552

SCHEMBL3596552

O=Cc1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CB P42338 2/20 0.40
PRKDC P78527 2/20 0.40

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
SCHEMBL18002950 0.85 ALDH1A3 (0.40) CYP1A2KMT2AALDH1A3POLBCRHBP
SCHEMBL24766047 0.84 MAPT (0.49) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL856718 0.83 MAPT (0.61) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL856815 0.78 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL29762330 0.78 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL21263116 0.77 ATR (0.47) MTORPIK3CD
SCHEMBL2343669 0.76 MAPT (0.49) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL2343673 0.76 MAPT (0.49) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL2343677 0.76 MAPT (0.49) MAPTCYP1A2CYP2D6KMT2AMEN1
SCHEMBL18003204 0.76 HTT (0.74) MAPTCYP1A2KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 MAPT 2195/4885CYP1A2 1185/4885CYP2D6 1107/4885

“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.