SCHEMBL9017796

SCHEMBL9017796

Cc1ccc(S)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 2/20 0.60
RECQL P46063 1/20 0.60
HSD17B10 Q99714 1/20 0.52
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
PPIA P62937 1/20 0.43

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
SCHEMBL3367391 0.83 MAPT (0.56) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL14924314 0.79 TSHR (0.60) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL171914 0.78 TSHR (0.72) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL7190826 0.78 TSHR (0.64) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL29613904 0.78 TSHR (0.72) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL1970698 0.78 CASP6 (0.39) TSHRALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL23293742 0.77 TSHR (0.62) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL17117159 0.77 TSHR (0.62) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL15022780 0.77 TSHR (0.47) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL48806 0.77 ALDH1A1 (0.69) TSHRALDH1A1CYP3A4RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591060-B1 4-Substituted meta amino phenols, process for their preparation their use in dyeing keratinic fibres and intermediates used in their preparation OREAL (FR) 1996-12-18 EP claimed
CN-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 CN disclosed
WO-2022107692-A1 SEALING MATERIAL FOR ORGANIC EL DISPLAY ELEMENT, CURED PRODUCT OF SAID SEALING MATERIAL, AND ORGANIC EL DISPLAY DEVICE 三井化学株式会社 2022-05-27 WO disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
CN-1995014-A Method for preparing 2-nitro-4-methyl p-tolyl sulfone using solid superstrong acid UNIV HEILONGJIANG (CN) 2007-07-11 CN 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 (1 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-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 TSHR 4186/4885ALDH1A1 4684/4885CYP3A4 4206/4885

“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.