SCHEMBL9101800

SCHEMBL9101800

O=C1c2c(Cl)cccc2-n2c1nc1ccccc1c2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 7/20 1.00
IDO2 Q6ZQW0 7/20 1.00
IDO1 P14902 6/20 1.00
LMNA P02545 5/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HTT P42858 2/20 0.63
NTRK1 P04629 1/20 0.63
ALOX5 P09917 1/20 0.63
MAPT P10636 1/20 0.63
PTGS2 P35354 1/20 0.63
MAPK8 P45983 1/20 0.63
NTRK2 Q16620 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
APAF1 O14727 2/20 0.59
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 2/20 0.57
TOP2A P11388 1/20 0.57

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
SCHEMBL31510894 0.84 TDO2 (0.73) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL17830821 0.84 TDO2 (0.73) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL9885126 0.81 IDO1 (0.68) TDO2IDO2IDO1LMNAKMT2A
Tryptanthrin SCHEMBL29359262 0.78 TDO2 (1.00) TDO2IDO2IDO1LMNAKMT2A
Tryptanthrin SCHEMBL2426211 0.78 TDO2 (1.00) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL17830822 0.77 TDO2 (0.62) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL9103137 0.77 TDO2 (0.62) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL26614085 0.77 TDO2 (0.62) TDO2IDO2IDO1LMNAKMT2A
SCHEMBL31382854 0.77 TDO2 (0.62) TDO2IDO2IDO1LMNAKMT2A
Mecloqualone SCHEMBL113419 0.75 ALDH1A1 (0.73) TDO2IDO2IDO1LMNAMAPT

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 16 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
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
US-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-09-27 US disclosed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP disclosed
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-8193185-B2 Administering a tryptanthrin compound, e.g., 8-nitroindolo[2,1-b]quinazoline-6,12-dione, to potentiate the immune response to an antigen; immunostimulants; small molecule immune potentiators; immunotherapy for infectious diseases; anticarcinogenic agents; vaccine adjuvant compositions and kits NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-05 US disclosed
US-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 US disclosed
US-8012987-B2 Indolo[2,1-b] quinazole-6,12-dione antimalarial compounds and methods of treating malaria therewith THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-09-06 US disclosed
US-5441955-A Tuberculosis PATHOGENESIS CORPORATION (US) 1995-08-15 US disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 WO 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-20120244182-A1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION TPSG1, TPSB2, TPSAB1 TDO2 66/4885IDO2 19/4885IDO1 20/4885
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.