SCHEMBL3340573

SCHEMBL3340573

C=CCOc1ccc(C(=N)NO)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 2/20 0.40
LIG1 P18858 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MTNR1A P48039 1/20 0.37
KAT6A Q92794 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3217934 0.83 ALDH1A1 (0.43) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL262359 0.81 ALDH1A1 (0.60) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3343024 0.78 LIG1 (0.44) LMNASMN1; SMN2ALDH1A1HPGDLIG1
SCHEMBL8875743 0.78 GAA (0.46) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4834529 0.77 BLM (0.47) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3340478 0.75 TYK2 (0.51) MAPTALDH1A1HPGDGAANPC1
SCHEMBL3224298 0.75 NPC1 (0.48) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL30826239 0.74 SMN1; SMN2 (0.49) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3340572 0.74 ALDH1A1 (0.49) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3340569 0.74 ALDH1A1 (0.49) MEN1LMNAMAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 MEN1 525/4885LMNA 2187/4885MAPT 4318/4885

“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.