SCHEMBL22040677

SCHEMBL22040677

COc1ccc(OC)c(C(C)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NNMT P40261 3/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA9 Q16790 1/20 0.40
LMNA P02545 4/20 0.39
RECQL P46063 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL3780312 0.85 TDP1 (0.53) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL28505636 0.83 POLB (0.43) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL18013560 0.83 ALDH1A1 (0.41) KDM4EL3MBTL1CA9LMNARECQL
SCHEMBL28251194 0.83 NNMT (0.54) POLBTDP1NNMTKDM4EL3MBTL1
SCHEMBL29432823 0.81 NNMT (0.47) POLBTDP1NNMTKDM4EALDH1A1
SCHEMBL14458102 0.81 POLB (0.44) POLBTDP1NNMTKDM4ETUBB4A
SCHEMBL18013563 0.81 KDM4E (0.49) KDM4EL3MBTL1CA9LMNARECQL
SCHEMBL20855788 0.81 KDM4E (0.44) TDP1KDM4EL3MBTL1CA9LMNA
SCHEMBL23854655 0.79 POLB (0.43) POLBTDP1NNMTKDM4EALDH1A1
SCHEMBL21046517 0.79 POLB (0.43) POLBTDP1NNMTKDM4EL3MBTL1

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-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 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-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 POLB 3701/4885TDP1 1918/4885NNMT 22/4885

“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.