SCHEMBL6404736

SCHEMBL6404736

COc1ccc([C@@H]2NC(=O)N(N)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
MAOA P21397 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
PTGS2 P35354 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
THRB P10828 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43

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
SCHEMBL6401149 1.00 KDM4E (0.48) KDM4EGAAALDH1A1TP53MAOA
SCHEMBL8769410 0.81 THRB (0.53) KDM4EGAAALDH1A1TP53HPGD
SCHEMBL6404733 0.78 ALDH1A1 (0.47) KDM4EGAAALDH1A1TP53MAOA
SCHEMBL6401145 0.78 ALDH1A1 (0.47) KDM4EGAAALDH1A1TP53MAOA
SCHEMBL6404444 0.77 TDP1 (0.49) ALDH1A1SMN1; SMN2KDM1ATDP1POLB
SCHEMBL6105903 0.77 LMNA (0.56) KDM4EGAAALDH1A1TP53HPGD
SCHEMBL6399678 0.77 LMNA (0.56) KDM4EGAAALDH1A1TP53HPGD
SCHEMBL6401313 0.77 LMNA (0.56) KDM4EGAAALDH1A1TP53HPGD
SCHEMBL10536959 0.74 KDM4E (0.56) KDM4EGAAALDH1A1TP53MAOA
SCHEMBL7167696 0.69 ALDH1A1 (0.67) KDM4EGAAALDH1A1TP53HPGD

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-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 KDM4E 1617/4885GAA 1100/4885ALDH1A1 408/4885

“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.