SCHEMBL212934

SCHEMBL212934

Cc1cc(N)c(Cl)cc1OCCCN1CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR4 Q13639 9/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
HTR3A P46098 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL216186 0.86 HTR4 (0.48) ALDH1A1KDM4ETSHRHTTL3MBTL1
SCHEMBL3989121 0.82 KDM4E (0.51) ALDH1A1KDM4ETSHRHTTL3MBTL1
SCHEMBL3989125 0.82 KDM4E (0.51) ALDH1A1KDM4ETSHRHTTL3MBTL1
SCHEMBL20512386 0.79 POLB (0.48) ALDH1A1KDM4ETSHRHTTL3MBTL1
SCHEMBL5480294 0.76 HPGD (0.61) ALDH1A1KDM4ETSHRHTTMEN1
SCHEMBL5487159 0.76 TSHR (0.55) ALDH1A1KDM4ETSHRCYP3A4CYP2D6
SCHEMBL5482274 0.75 L3MBTL1 (0.62) ALDH1A1KDM4ETSHRHTTL3MBTL1
SCHEMBL5486856 0.73 ALDH1A1 (0.69) ALDH1A1KDM4EHTTL3MBTL1CYP2D6
SCHEMBL5487964 0.72 DRD2 (0.51) ALDH1A1KDM4EMEN1KMT2AHRH2
SCHEMBL13648213 0.71 HTR4 (0.46) HTR4MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 ALDH1A1 4295/4885KDM4E 952/4885TSHR 2231/4885

“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.