SCHEMBL6406364

SCHEMBL6406364

COc1ccc2c(c1)C(=O)[N]C(=O)N2C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SCN2A Q99250 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.37
KYAT1 Q16773 1/20 0.36
KYAT3 Q6YP21 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL6401710 0.80 P2RX4 (0.40) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL6401445 0.73 ALPL (0.32)
SCHEMBL9834316 0.69 HSD17B10 (0.53) HSD17B10KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3377831 0.68 CA1 (0.52) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11536134 0.66 HSD17B10 (0.44) HSD17B10KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL11111881 0.62 LMNA (0.66)
SCHEMBL5712056 0.62 NOTUM (0.57) HSD17B10KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL211764 0.61 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1MAPTCA1
SCHEMBL3233069 0.61 KDM4E (0.43) HSD17B10KDM4EALDH1A1MAPTCA1
SCHEMBL3226307 0.61 KDM4E (0.43) KDM4EMAPTCA1CA2CA4

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 HSD17B10 1103/4885KDM4E 1617/4885CYP1A2 490/4885

“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.