SCHEMBL7014776

SCHEMBL7014776

O=[N+]([O-])c1ncccc1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 1/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSB P07858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA1 Q15788 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
SCHEMBL8560593 0.79 HSD11B1 (0.44) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL5643188 0.77 PDE10A (0.48) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL29579675 0.77 PDE10A (0.58) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL294121 0.77 PDE10A (0.58) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL251801 0.75 MAPT (0.45) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL5700168 0.75 MEN1 (0.43) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL799695 0.75 ALDH1A1 (0.51) KMT2AMEN1PDE10APOLBALDH1A1
SCHEMBL21847263 0.75 KMT2A (0.43) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL601835 0.75 HTT (0.50) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL541486 0.75 NPC1 (0.51) KMT2AMEN1PDE10APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998584-B2 Conjugate of a tubulysin analog with branched linkers HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-06-04 US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 US disclosed
CN-103497177-B Amino heterocyclic aromatic compound serving as c-Met inhibitor, and preparation method thereof 天津滨江药物研发有限公司 2017-03-22 CN disclosed
US-8952002-B2 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2015-02-10 US disclosed
US-8952002-B2 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2015-02-10 US disclosed
US-20140357613-A1 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2014-12-04 US disclosed
US-20140357613-A1 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2014-12-04 US disclosed
WO-2013107285-A1 AMINO HETEROARYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技有限公司 (CN) 2013-07-25 WO disclosed
EP-0662078-B1 REAGENTS FOR PEPTIDE COUPLINGS RES CORP TECHNOLOGIES INC (US) 2003-05-02 EP disclosed
US-RE38073-E1 Biosynthesis; using dehydration agent RESEARCH CORPORATIONS TECHNOLOGIES, INC. 2003-04-08 US disclosed
US-RE37686-E1 Azahydroxybenzotriazoles and derivatives thereof for peptide coupling reactions RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-04-30 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5698675-A AMIDATION; ESTERIFICATION RESEARCH CORPORATION TECH., INC. (US) 1997-12-16 US disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
US-5644029-A TRIAZOLO-PYRIDINE HETEROCYCLIC COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-01 US disclosed
US-5580981-A YELLOW INDICATORS FADING TO COLORLESS UPON COMPLETION OF THE ACYLATION STEP IN AMIDE FORMATION; REACTION ACCELERATORS; LOWERS RACEMIZATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-03 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
EP-0662078-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-12 EP disclosed
WO-1994007910-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-14 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 (3 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-20140357613-A1 Aminoheteroaryl compounds and preparation method and use thereof MET, HGF, HDGF KMT2A 1475/4885MEN1 560/4885PDE10A 4655/4885
US-11998584-B2 Conjugate of a tubulysin analog with branched linkers TEKT1, TEK, CD2BP2 KMT2A 2786/4885MEN1 245/4885PDE10A 4815/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 KMT2A 2842/4885MEN1 281/4885PDE10A 4826/4885

“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.