SCHEMBL443483

SCHEMBL443483

Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 4/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR6 P50406 1/20 0.46
TLR4 O00206 3/20 0.46
TLR2 O60603 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL30072571 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL18345260 0.91 HSPB1 (0.46) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL2538774 0.88 TSHR (0.52) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL30970189 0.88 MAPT (0.52) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL2539419 0.87 MAPT (0.56) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL2271210 0.87 SMN1; SMN2 (0.54) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL6180876 0.87 MERTK (0.52) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL6087961 0.86 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6567485 0.86 PIN1 (0.52) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL2531644 0.85 HSPB1 (0.57) HSD17B10ALDH1A1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386992-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE Janssen Pharmaceutica, N.V. (BE) 2018-10-17 EP claimed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 WO claimed
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 US disclosed
EP-4463442-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2024-11-20 EP disclosed
CN-118613473-A Compounds and compositions for treating disorders associated with STING activity 艾福姆德尤股份有限公司 2024-09-06 CN disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
WO-2023249994-A1 METHODS AND MATERIALS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-12-28 WO disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-5637593-A MIGRAINE; HYPOTENSIVE AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-06-10 US disclosed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
US-4619689-A Diphenyl ether derivatives and herbicides containing same MITSUI TOATSU CHEMICALS, INC. (JP) 1986-10-28 US disclosed
US-4566897-A Diphenyl ether derivatives and herbicides containing same MITSUI TOATSU CHEMICALS, INC. (JP) 1986-01-28 US disclosed
US-4515628-A PRE- AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-05-07 US 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 (4 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-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN HSD17B10 3357/4885ALDH1A1 4036/4885TSHR 3846/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 HSD17B10 3397/4885ALDH1A1 3938/4885TSHR 4089/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HSD17B10 4346/4885ALDH1A1 4654/4885TSHR 4487/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HSD17B10 4346/4885ALDH1A1 4654/4885TSHR 4487/4885

“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.