SCHEMBL1115724

SCHEMBL1115724

CC(O)n1c(=O)n(C(C)O)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.50
▸ MAPT P10636 8/20 0.47
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 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
▸ MPI P34949 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1115747 0.76 MAPT (0.59) TDP1MAPTLMNAKDM4EHTT
SCHEMBL1115798 0.72 MAPT (0.76) TDP1MAPTLMNAKDM4EHTT
SCHEMBL1115725 0.70 MAPT (0.40) TDP1MAPTLMNAKDM4EHTT
SCHEMBL12314599 0.69 MAPT (0.50) TDP1MAPTLMNAKDM4EHTT
SCHEMBL1115528 0.68 ALDH1A1 (0.42) TDP1MAPTLMNAKDM4EHTT
SCHEMBL596168 0.68 MAPT (0.62) TDP1MAPTLMNATSHRCYP1A2
SCHEMBL19511923 0.68 MAPT (0.62) TDP1MAPTLMNATSHRCYP1A2
SCHEMBL1115720 0.67 MAPT (0.47) TDP1MAPTLMNAKDM4EHTT
SCHEMBL452426 0.66 CYP1A2 (0.44) TDP1MAPTLMNATSHRCYP1A2
SCHEMBL3243151 0.66 MAPT (0.60) TDP1MAPTLMNATSHRCYP1A2

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 5 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
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
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

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 TDP1 1531/4885MAPT 136/4885LMNA 1593/4885

“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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