SCHEMBL22396294

SCHEMBL22396294

O=C(O)c1cc2c(Br)ccc(F)c2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.65
TDO2 P48775 8/20 0.65
EIF4A3 P38919 3/20 0.45
HRH4 Q9H3N8 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RHEB Q15382 3/20 0.41
GPR17 Q13304 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL24113200 0.88 IDO1 (0.58) IDO1TDO2EIF4A3HRH4HPGD
SCHEMBL30310603 0.88 IDO1 (0.58) IDO1TDO2EIF4A3HRH4HPGD
SCHEMBL22747188 0.88 IDO1 (0.75) IDO1TDO2EIF4A3HRH4HPGD
SCHEMBL29974758 0.88 IDO1 (0.75) IDO1TDO2EIF4A3HRH4HPGD
SCHEMBL28455734 0.86 KDM4E (0.49) IDO1TDO2EIF4A3HPGDKDM4E
SCHEMBL28844643 0.85 IDO1 (0.48) IDO1TDO2EIF4A3HRH4RHEB
SCHEMBL22620603 0.81 XDH (0.50) IDO1TDO2HRH4HPGDKDM4E
SCHEMBL22394891 0.80 IDO1 (0.65) IDO1TDO2EIF4A3HRH4RHEB
SCHEMBL20505032 0.80 IDO1 (0.65) IDO1TDO2EIF4A3HRH4HPGD
SCHEMBL28899836 0.80 GRIN1 (0.46) IDO1TDO2EIF4A3HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-08 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US disclosed
EP-3704127-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2020-09-09 EP disclosed
CN-111448199-A Novel highly active amino-thiazole-substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-07-24 CN 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 (2 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-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 IDO1 14/4885TDO2 210/4885EIF4A3 783/4885
US-11267825-B2 Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, IDO2 IDO1 5/4885TDO2 183/4885EIF4A3 861/4885

“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.