SCHEMBL4454462

SCHEMBL4454462

CC(=Cc1c[nH]c2ccccc12)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 6/20 0.64
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
KDM4E B2RXH2 2/20 0.64
CYP2A6 P11509 1/20 0.51
IMPDH2 P12268 1/20 0.51
APP P05067 1/20 0.51
FBP1 P09467 1/20 0.50
PBRM1 Q86U86 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL29819228 1.00 KMT2A (0.64) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL5174096 1.00 KMT2A (0.64) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL17856541 1.00 KMT2A (0.64) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL18425978 0.82 KMT2A (0.61) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL274251 0.82 KMT2A (0.61) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL15167694 0.82 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL631726 0.82 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL527800 0.82 KMT2A (0.60) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL274179 0.80 TDO2 (0.53) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL21546057 0.80 CAPN1 (0.56) KMT2AALDH1A1GAAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683535-B Compound containing cyanoguanidine structure and preparation method and application thereof 中国药科大学 2022-08-30 CN disclosed
CN-113683535-A Compound containing cyanoguanidine structure and preparation method and application thereof 中国药科大学 2021-11-23 CN disclosed
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
EP-3328379-B1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2021-07-28 EP disclosed
US-10975066-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-04-13 US disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
US-20180222899-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2018-08-09 US disclosed
EP-3328379-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SPRL (BE) 2018-06-06 EP disclosed
EP-2828385-B1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS INC (US) 2018-02-07 EP disclosed
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
WO-2017020010-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2017-02-02 WO disclosed
US-20160289649-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-10-06 US disclosed
US-9388395-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2016-07-12 US disclosed
US-20150344854-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-12-03 US disclosed
US-9139821-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2015-09-22 US disclosed
US-20150072383-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-12 US disclosed
WO-2009104198-A2 METAL CONJUGATES OF INDOLE 3- ALDEHYDE AZINE AND ITS DERIVATIVES AND USES THEREOF VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) 2009-08-27 WO disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 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-10975066-B2 Bis-heteroaryl derivatives as modulators of protein aggregation HTT, PARK7, SNCA KMT2A 1383/4885ALDH1A1 4670/4885GAA 973/4885
US-20180222899-A1 BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION HTT, PARK7, SNCA KMT2A 1383/4885ALDH1A1 4670/4885GAA 973/4885

“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.