SCHEMBL6677640

SCHEMBL6677640

CCCCSc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
XDH P47989 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MAPK1 P28482 2/20 0.39
ALPG P10696 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL31038411 1.00 MAPT (0.54) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL1538922 0.91 MAPT (0.56) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL6678642 0.88 MEN1 (0.49) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL20982523 0.85 TSHR (0.44) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL20982813 0.85 MEN1 (0.46) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11483675 0.84 MAPT (0.54) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11962582 0.82 TDP1 (0.50) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11276316 0.82 MAPT (0.47) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11839032 0.81 GSTP1 (0.52) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL11158179 0.79 DTYMK (0.62) MAPTTSHRTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 US disclosed
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-08 US disclosed
US-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-03-26 US disclosed
CN-110573154-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2019-12-13 CN disclosed
WO-2018145080-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2018-08-09 WO disclosed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 US disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 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-20200095206-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS MAPT 3596/4885LMNA 1538/4885ALDH1A1 136/4885
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 MAPT 4097/4885LMNA 4583/4885ALDH1A1 609/4885
US-11718589-B2 Compositions and methods of modulating short-chain dehydrogenase HPGD, GCDH, HPGDS MAPT 3596/4885LMNA 1538/4885ALDH1A1 136/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS MAPT 3596/4885LMNA 1538/4885ALDH1A1 136/4885

“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.