SCHEMBL17832378

SCHEMBL17832378

O=C1c2c(F)cccc2-n2c1nc1ccc(N3CCNCC3)cc1c2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 13/20 0.67
▸ IDO2 Q6ZQW0 12/20 0.67
▸ IDO1 P14902 11/20 0.67
▸ HTR6 P50406 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL17830815 0.89 TDO2 (0.63) TDO2IDO2IDO1HTR6HTR1A
SCHEMBL17830813 0.80 TDO2 (1.00) TDO2IDO2IDO1KMT2AMEN1
SCHEMBL17830822 0.77 TDO2 (0.62) TDO2IDO2IDO1HTR6HTR1A
SCHEMBL17830805 0.77 TDO2 (0.79) TDO2IDO2IDO1KMT2AMEN1
SCHEMBL9106666 0.74 TDO2 (0.63) TDO2IDO2IDO1KMT2AALDH1A1
SCHEMBL17830817 0.70 TDO2 (1.00) TDO2IDO2IDO1HTR6HTR7
SCHEMBL17830811 0.69 TDO2 (1.00) TDO2IDO2IDO1KMT2AMEN1
SCHEMBL28291142 0.69 HTR3E (0.63) HTR6HTR1AHTR7HTR2BALDH1A1
SCHEMBL17830807 0.69 TDO2 (0.82) TDO2IDO2IDO1KMT2AMEN1
SCHEMBL5864222 0.68 TDO2 (0.55) TDO2IDO2IDO1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630969-B2 N-alkyl tryptanthrin derivative, preparation method for same, and application thereof SHANGHAI TIN TSZ BIO VALLEY BIOLOGICAL ENGINEERING CO., LTD (CN) 2017-04-25 — — US disclosed
US-20160168152-A1 N-ALKYL TRYPTANTHRIN DERIVATIVE, PREPARATION METHOD FOR SAME, AND APPLICATION THEREOF SHANGHAI TIN TSZ BIO VALLEY BIOLOGICAL ENGINEERING CO., LTD (CN) 2016-06-16 — — 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-20160168152-A1 N-ALKYL TRYPTANTHRIN DERIVATIVE, PREPARATION METHOD FOR SAME, AND APPLICATION THEREOF IDO1, IDO2, TPH1 TDO2 9/4885IDO2 2/4885IDO1 1/4885

“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.

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