SCHEMBL2479746

SCHEMBL2479746

COc1cc(Cl)c(C(=O)NN)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.57
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL3963618 0.90 CTSD (0.53) CTSDKDM4EALDH1A1GAAMAPT
SCHEMBL6581077 0.88 CTSD (0.59) CTSDKDM4EALDH1A1GAAMAPT
SCHEMBL2663963 0.83 KDM4E (0.51) CTSDKDM4EALDH1A1GAAMAPT
SCHEMBL2476221 0.80 GAA (0.62) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL18840053 0.80 GAA (0.49) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL9072065 0.80 GAA (0.50) CTSDKDM4EALDH1A1GAAMAPT
SCHEMBL7751850 0.80 GAA (0.71) ALDH1A1GAARAB9ALMNA
SCHEMBL2730020 0.78 ALDH1A1 (0.49) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL23716794 0.77 CTSD (0.63) CTSDKDM4EALDH1A1GAAMAPT
SCHEMBL16914030 0.76 HPGDS (0.47) KDM4EALDH1A1GAASMN1; SMN2NPSR1

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
EP-2370438-A1 IMIDAZO [1,2A]PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION Exelixis, Inc. (US) 2011-10-05 EP disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 CTSD 2595/4885KDM4E 3232/4885ALDH1A1 1246/4885

“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.