SCHEMBL3378382

SCHEMBL3378382

C#CC(C)(O)c1ccccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
PGR P06401 1/20 0.34
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL168119 0.78 CYP3A4 (0.43) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL79300 0.78 PGR (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL29470925 0.78 PGR (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL28390802 0.77 HTR2A (0.41) CYP3A4ALDH1A1TSHRTDP1CA2
SCHEMBL31727201 0.76 KDM4E (0.33) PGRKDM4EMAPT
SCHEMBL2790363 0.76 CYP3A4 (0.41) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL615106 0.75 NPC1 (0.39) ALDH1A1TSHRTDP1CA2MAPT
Methyl Alcohol SCHEMBL27473713 0.73 ALDH1A1 (0.52) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL895143 0.72 CYP3A4 (0.47) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL2202080 0.72 CYP3A4 (0.47) CYP3A4ALOX15SMN1; SMN2CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 US disclosed
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 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 (2 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-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLP1R, GIPR, INSR CYP3A4 445/4885ALOX15 811/4885SMN1; SMN2 3845/4885
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 CYP3A4 152/4885ALOX15 1510/4885SMN1; SMN2 2964/4885

“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.