SCHEMBL17875627

SCHEMBL17875627

C[Si](C)(C)C#Cc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.38
VCAM1 P19320 1/20 0.37
PDE7A Q13946 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.33

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
SCHEMBL30413307 1.00 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL17875625 0.85 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL15218940 0.83 TSHR (0.53) ALDH1A1TSHRCYP3A4HSD17B10MAPT
SCHEMBL6380480 0.81 S100A4 (0.40) MAPK1VCAM1CYP1A2GAA
SCHEMBL2107697 0.81 VCAM1 (0.37) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL13931955 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL709464 0.79 ALDH1A1 (0.42) ALDH1A1TDP1L3MBTL1MAPK1MAPT
SCHEMBL1796916 0.79 VCAM1 (0.53) TDP1MAPK1MAPTMEN1KMT2A
SCHEMBL38666571 0.78 VCAM1 (0.39) ALDH1A1MEN1KMT2APOLBVCAM1
SCHEMBL2910616 0.77 HSD17B10 (0.46) ALDH1A1TSHRCYP3A4RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102440-A Preparation method of 1- (3, 4-diaminophenyl) ethanone 上海琼燕医药科技有限公司 2023-05-12 CN claimed
CN-116102440-A Preparation method of 1- (3, 4-diaminophenyl) ethanone 上海琼燕医药科技有限公司 2023-05-12 CN disclosed
US-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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 (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-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, TYR, ALDH1A2 ALDH1A1 21/4885TSHR 3464/4885CYP3A4 25/4885

“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.