SCHEMBL2117433

SCHEMBL2117433

NNc1nc2ccc(F)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
KMT2A Q03164 10/20 1.00
MEN1 O00255 9/20 1.00
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 7/20 1.00
LMNA P02545 5/20 1.00
TDP1 Q9NUW8 5/20 1.00
ALOX12 P18054 2/20 1.00
GFER P55789 2/20 1.00
PKM P14618 2/20 1.00
MAPK1 P28482 2/20 1.00
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 8/20 0.65
HTT P42858 5/20 0.65
GAA P10253 3/20 0.65
AXL P30530 1/20 0.61
PDPK1 O15530 1/20 0.60
DYRK1A Q13627 1/20 0.60
MCL1 Q07820 3/20 0.59

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
SCHEMBL22833881 0.86 MAPT (0.75) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29379319 0.86 MAPT (0.75) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL15617128 0.82 MAPT (0.70) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL17252042 0.82 MAPT (0.70) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL28878446 0.79 MAPT (0.66) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29974715 0.79 MAPT (0.66) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL6641942 0.79 DYRK1A (0.74) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL22468022 0.79 PDPK1 (0.65) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2115626 0.79 NPC1 (0.65) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2116067 0.79 MEN1 (1.00) MAPTKMT2AMEN1KDM4EALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US claimed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US claimed
CN-118702646-A Novel polymerizable liquid crystal 罗利克技术有限公司 2024-09-27 CN disclosed
CN-114026078-B Novel polymerizable liquid crystal 罗利克技术有限公司 2024-06-07 CN disclosed
EP-3990569-A1 NEW POLYMERIZABLE LIQUID CRYSTAL Rolic Technologies AG (CH) 2022-05-04 EP disclosed
CN-114026078-A Novel polymerizable liquid crystal 罗利克技术有限公司 2022-02-08 CN disclosed
WO-2020260624-A1 NEW POLYMERIZABLE LIQUID CRYSTAL Rolic Technologies AG (CH) 2020-12-30 WO disclosed
US-10729671-B2 Zinc complexes of hydrazones and (thio)semicarbazones and their use for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-08-04 US disclosed
US-9949970-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20180000772-A1 ZINC COMPLEXES OF HYDRAZONES AND (THIO)SEMICARBAZONES AND THEIR USE FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-01-04 US disclosed
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed
WO-2008118790-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-02 WO disclosed
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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 (7 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-10729671-B2 Zinc complexes of hydrazones and (thio)semicarbazones and their use for the treatment of cancer SLC39A3, SLC39A7, SLC30A7 MAPT 3462/4885KMT2A 1403/4885MEN1 1414/4885
US-20180000772-A1 ZINC COMPLEXES OF HYDRAZONES AND (THIO)SEMICARBAZONES AND THEIR USE FOR THE TREATMENT OF CANCER SLC39A3, SLC39A7, SLC30A7 MAPT 3462/4885KMT2A 1403/4885MEN1 1414/4885
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA MAPT 1450/4885KMT2A 3916/4885MEN1 3843/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA MAPT 1492/4885KMT2A 4072/4885MEN1 3854/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MAPT 3403/4885KMT2A 575/4885MEN1 3325/4885
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC40A1, HAMP MAPT 401/4885KMT2A 1932/4885MEN1 691/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR MAPT 3403/4885KMT2A 575/4885MEN1 3325/4885

“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.