SCHEMBL3130705

SCHEMBL3130705

CCN(CCO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 3/20 0.47
ATM Q13315 2/20 0.47
TLR9 Q9NR96 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL31212713 0.93 TSHR (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL18678359 0.91 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL531065 0.91 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL532332 0.91 MAPT (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL531064 0.91 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL148266 0.91 MAPT (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL29740662 0.90 MAPT (0.57) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL168393 0.90 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8422413 0.88 MAPT (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL13292848 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968538-A1 POLYMER SEMICONDUCTOR DEVICE COMPRISING AT LEAST A RECTIFYING FUNCTION AND METHOD FOR MAKING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE ( CEA) (FR) 2000-01-05 EP claimed
WO-1998035393-A1 POLYMER SEMICONDUCTOR DEVICE COMPRISING AT LEAST A RECTIFYING FUNCTION AND METHOD FOR MAKING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1998-08-13 WO claimed
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
EP-0478268-B1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same NIPPON PAINT CO LTD (JP) 1995-11-15 EP disclosed
US-5411842-A Electrolyzing p-nitroso-, azo-, nitroso-, or carbamato-N-substituted aniline derivatives; preservative-free EASTMAN KODAK COMPANY (US) 1995-05-02 US disclosed
EP-0620485-A2 Method of making a photographic developer solution KODAK LIMITED (GB) 1994-10-19 EP disclosed
US-5274061-A A 4-nitophenylaminoimido pendant group oriented by an electric field NIPPON PAINT CO., LTD. (JP) 1993-12-28 US disclosed
US-5200552-A POLYMERIZABLE SUBSTITUTED AMIDE COMPOUND, POLYMER OBTAINED THEREFROM AND NONLINEAR OPTICAL MATERIAL USING THE SAME NIPPON PAINT CO., LTD. (JP) 1993-04-06 US disclosed
EP-0478268-A1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same Nippon Paint Co., Ltd. (JP) 1992-04-01 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 (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-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens NR2E3, NR1H2, NR5A2 MAPT 2745/4885ALDH1A1 2628/4885MEN1 2151/4885

“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.