SCHEMBL4587405

SCHEMBL4587405

CN1CCN(c2c(F)cc3c(c2F)NC(=O)C3=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.40
▸ CRBN Q96SW2 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CASP7 P55210 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34

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
SCHEMBL4585247 0.73 CRBN (0.49) CRBNMAPTALDH1A1CES1CHRM1
SCHEMBL30504159 0.71 TGM2 (0.60) TGM2CASP7ALDH1A1ALDH2ALDH3A1
SCHEMBL4585146 0.71 TGM2 (0.60) TGM2CASP7ALDH1A1ALDH2ALDH3A1
SCHEMBL16647154 0.67 TGM2 (0.55) TGM2CASP7ALDH1A1ALDH2ALDH3A1
SCHEMBL29431921 0.67 LRRK2 (0.33) KDM4ECRBNMAPTALDH1A1ALK
SCHEMBL25365915 0.67 TGM2 (0.50) TGM2CASP7ALDH1A1ALDH2ALDH3A1
SCHEMBL29493880 0.67 TGM2 (0.50) TGM2CASP7ALDH1A1ALDH2ALDH3A1
SCHEMBL17144408 0.67 MAPT (0.51) KDM4EMAPTALDH1A1HRH3POLB
SCHEMBL14922287 0.66 HRH4 (0.44) KDM4EMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL8275459 0.66 MAPT (0.46) KDM4EMAPTALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 — — EP disclosed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 — — EP disclosed
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation CHIRON CORPORATION (US) 2004-12-02 — — US disclosed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 — — WO 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 TGM2 1280/4885KDM4E 2881/4885CRBN 4272/4885
US-20040241192-A1 Use of tryptanthrin compounds for immune potentiation TPSG1, TPSB2, TPSAB1 TGM2 1280/4885KDM4E 2881/4885CRBN 4272/4885

“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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