SCHEMBL820809

SCHEMBL820809

CC(C)c1cccc(N(c2ccc(N(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3)cc2)c2cccc(C(C)C)c2C(C)C)c1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
ATM Q13315 1/20 0.51
TLR9 Q9NR96 1/20 0.51
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25A P30304 1/20 0.34

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
SCHEMBL820893 0.78 CYP3A4 (0.44) L3MBTL1ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL13377362 0.74 GABRA1 (0.38) L3MBTL1ALDH1A1KMT2AMAPTCYP1A2
SCHEMBL310828 0.73 ALDH1A1 (0.83) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL8986915 0.73 ALDH1A1 (0.83) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL9821485 0.70 ALDH1A1 (0.78) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL3853529 0.69 ALDH1A1 (1.00) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL17817838 0.69 ALDH1A1 (1.00) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL1039452 0.69 ALDH1A1 (1.00) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL31155753 0.69 ATM (0.48) L3MBTL1ALDH1A1MEN1KMT2ACRHBP
SCHEMBL13902996 0.69 TDP1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US claimed
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US claimed
US-8492508-B2 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-07-23 US disclosed
US-8367797-B2 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-02-05 US disclosed
US-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 US disclosed
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2011-11-10 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 (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-20110275783-A1 Nitro compound, amine compound and polyamide derived therefrom NOS2, NOS1, NOS3 L3MBTL1 3661/4885ALDH1A1 2358/4885MEN1 3790/4885
US-20110275781-A1 Nitro compound, amine compound, polyimide and polyimide copolymer derived therefrom THEM6, NOS2, NOS1 L3MBTL1 4279/4885ALDH1A1 2644/4885MEN1 3480/4885

“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.