SCHEMBL4333547

SCHEMBL4333547

S=C=Nc1ccc(N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 20/20 0.67
L3MBTL1 Q9Y468 16/20 0.67
MBTD1 Q05BQ5 4/20 0.57
TP53BP1 Q12888 5/20 0.50
L3MBTL4 Q8NA19 1/20 0.50

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
SCHEMBL14508111 0.98 L3MBTL3 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4344904 0.87 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5741447 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1
SCHEMBL13664661 0.85 ALDH1A1 (0.47) L3MBTL3L3MBTL1
SCHEMBL4342728 0.84 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL28462797 0.84 P2RY6 (0.45) L3MBTL3L3MBTL1
SCHEMBL23682775 0.82 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5483821 0.76 CYP3A4 (0.38) L3MBTL3L3MBTL1
SCHEMBL12082201 0.76 L3MBTL3 (0.79) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL77669 0.76 L3MBTL3 (0.79) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 L3MBTL3 3681/4885L3MBTL1 2799/4885MBTD1 892/4885

“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.