SCHEMBL4092376

SCHEMBL4092376

CCCC(=O)Nc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.59
MAPK1 P28482 1/20 0.55
PARP14 Q460N5 1/20 0.54
MAPT P10636 3/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MTNR1A P48039 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM1A O60341 1/20 0.50

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
SCHEMBL4103760 0.89 STING1 (0.60) STING1PARP14HSD17B10
SCHEMBL27144986 0.85 MAPT (0.54) STING1MAPTHPGDALDH1A1KDM4E
SCHEMBL4099310 0.85 STING1 (0.54) STING1MAPTHPGDALDH1A1KDM4E
SCHEMBL5142090 0.84 STING1 (0.55) STING1MAPTALDH1A1
SCHEMBL27522079 0.83 STING1 (0.54) STING1MAPTALDH1A1
SCHEMBL6455572 0.82 CTNNB1 (0.63) STING1MAPTALDH1A1MEN1KMT2A
SCHEMBL22246551 0.81 STING1 (0.70) STING1PARP14MAPTALDH1A1KMT2A
SCHEMBL28680990 0.81 LMNA (0.50) STING1MAPK1MAPTALDH1A1KDM4E
SCHEMBL28681121 0.81 NR4A2 (0.50) STING1MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL1596152 0.80 STING1 (0.61) STING1PARP14MEN1KMT2A

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-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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 (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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 STING1 961/4885MAPK1 3697/4885PARP14 889/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 STING1 961/4885MAPK1 3697/4885PARP14 889/4885

“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.