SCHEMBL17830822

SCHEMBL17830822

O=C1c2c(N3CCNCC3)cccc2-n2c1nc1ccccc1c2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 0.62
IDO2 Q6ZQW0 7/20 0.62
IDO1 P14902 6/20 0.62
LMNA P02545 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.55
NTRK1 P04629 1/20 0.55
ALOX5 P09917 1/20 0.55
MAPT P10636 1/20 0.55
PTGS2 P35354 1/20 0.55
MAPK8 P45983 1/20 0.55
NTRK2 Q16620 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
TOP2A P11388 1/20 0.51
NCF1 P14598 4/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 1/20 0.50
HTR6 P50406 2/20 0.48

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
SCHEMBL9103137 0.86 TDO2 (0.62) TDO2IDO2IDO1LMNANPC1
SCHEMBL17830821 0.78 TDO2 (0.73) TDO2IDO2IDO1LMNANPC1
SCHEMBL9106666 0.78 TDO2 (0.63) TDO2IDO2IDO1LMNANPC1
SCHEMBL17830815 0.78 TDO2 (0.63) TDO2IDO2IDO1TOP2ANCF1
SCHEMBL17832378 0.77 TDO2 (0.67) TDO2IDO2IDO1LMNANPC1
SCHEMBL9101800 0.77 TDO2 (1.00) TDO2IDO2IDO1LMNANPC1
Tryptanthrin SCHEMBL29359262 0.72 TDO2 (1.00) TDO2IDO2IDO1LMNANPC1
Tryptanthrin SCHEMBL2426211 0.72 TDO2 (1.00) TDO2IDO2IDO1LMNANPC1
SCHEMBL26614085 0.71 TDO2 (0.62) TDO2IDO2IDO1LMNANPC1
SCHEMBL31382854 0.71 TDO2 (0.62) TDO2IDO2IDO1LMNANPC1

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-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-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
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.