SCHEMBL17830815

SCHEMBL17830815

Cc1cccc2c1C(=O)c1nc3ccc(N4CCNCC4)cc3c(=O)n1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.63
IDO2 Q6ZQW0 9/20 0.63
IDO1 P14902 7/20 0.63
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
HTR2B P41595 1/20 0.42
ADRB1 P08588 5/20 0.40
MAPK14 Q16539 1/20 0.40
NCF1 P14598 2/20 0.40
TOP2A P11388 1/20 0.40
ADRB2 P07550 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL17832378 0.89 TDO2 (0.67) TDO2IDO2IDO1HTR1AHTR7
SCHEMBL17830805 0.80 TDO2 (0.79) TDO2IDO2IDO1
SCHEMBL17830822 0.78 TDO2 (0.62) TDO2IDO2IDO1HTR1AHTR7
SCHEMBL17830813 0.77 TDO2 (1.00) TDO2IDO2IDO1
SCHEMBL17830821 0.76 TDO2 (0.73) TDO2IDO2IDO1TOP2AALDH1A1
SCHEMBL9106666 0.75 TDO2 (0.63) TDO2IDO2IDO1ADRB1NCF1
SCHEMBL17830817 0.73 TDO2 (1.00) TDO2IDO2IDO1HTR7HTR6
SCHEMBL5864222 0.73 TDO2 (0.55) TDO2IDO2IDO1MAPK14NCF1
SCHEMBL17830808 0.69 TDO2 (0.78) TDO2IDO2IDO1ALDH1A1
SCHEMBL5864124 0.69 HTR6 (0.54) TDO2IDO2IDO1HTR6USP2

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.