SCHEMBL1115725

SCHEMBL1115725

Nc1cc2c(cc1[N+](=O)[O-])n(CCO)c(=O)n2CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MPI P34949 1/20 0.36

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
SCHEMBL1115528 0.82 ALDH1A1 (0.42) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL12314599 0.81 MAPT (0.50) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL1115747 0.76 MAPT (0.59) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL1115798 0.72 MAPT (0.76) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL1115724 0.70 TDP1 (0.50) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL1115708 0.68 MAPT (0.62) MAPTLMNAKDM4EHTTNPSR1
SCHEMBL19511923 0.68 MAPT (0.62) MAPTLMNAPOLBALDH1A1TDP1
SCHEMBL596168 0.68 MAPT (0.62) MAPTLMNAPOLBALDH1A1TDP1
SCHEMBL11603805 0.68 P2RX3 (0.40) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL11600644 0.68 HSD17B10 (0.37) MAPTLMNAKDM4EPOLBATM

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-8262949-B2 Long wavelength shifted benzotriazole uv-absorbers and their use BASF SE (DE) 2012-09-11 — — US disclosed
US-8262949-B2 Long wavelength shifted benzotriazole uv-absorbers and their use BASF SE (DE) 2012-09-11 — — US disclosed
US-8262949-B2 Long wavelength shifted benzotriazole uv-absorbers and their use BASF SE (DE) 2012-09-11 — — US disclosed
EP-2032577-B1 LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE BASF SE (DE) 2011-02-02 — — EP disclosed
US-20100163813-A1 Long wavelength shifted benzotriazole uv-absorbers and their use CIBA CORPORATION 2010-07-01 — — US disclosed
US-20100163813-A1 Long wavelength shifted benzotriazole uv-absorbers and their use CIBA CORPORATION 2010-07-01 — — US disclosed
US-20100163813-A1 Long wavelength shifted benzotriazole uv-absorbers and their use CIBA CORPORATION 2010-07-01 — — US disclosed
EP-2032577-A1 LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE Ciba Holding Inc. (CH) 2009-03-11 — — EP disclosed
WO-2008000646-A1 LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE CIBA HOLDING INC. (CH) 2008-01-03 — — WO disclosed
WO-2008000646-A1 LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE CIBA HOLDING INC. (CH) 2008-01-03 — — WO 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-20100163813-A1 Long wavelength shifted benzotriazole uv-absorbers and their use SULT1A1, GABBR1, TPMT MAPT 136/4885LMNA 1593/4885KDM4E 626/4885

“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.

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