SCHEMBL1115528

SCHEMBL1115528

CCCCn1c(=O)n(CCCC)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MPI P34949 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ APOBEC3G Q9HC16 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
SCHEMBL12314599 0.87 MAPT (0.50) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115725 0.82 MAPT (0.40) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115747 0.77 MAPT (0.59) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115708 0.75 MAPT (0.62) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115798 0.73 MAPT (0.76) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2488454 0.69 TDP1 (0.55) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL6885959 0.68 KMT2A (0.49) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115724 0.68 TDP1 (0.50) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL1115720 0.68 MAPT (0.47) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL8358231 0.67 MAPT (0.57) ALDH1A1MAPTLMNANPSR1KMT2A

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 11 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
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 ALDH1A1 343/4885MAPT 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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