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SCHEMBL4256499

SCHEMBL4256499

CC(C)(C)OC(=O)N1CCN(c2c(C3=CCC(C(C)(C)C)CC3)cccc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MET P08581 1/20 0.40
▸ PDK4 Q16654 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.37
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ PBRM1 Q86U86 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ STS P08842 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 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
SCHEMBL5056826 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4254205 0.82 ALDH1A1 (0.37) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2977592 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4249894 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2A
SCHEMBL20140223 0.75 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2973720 0.75 ALDH1A1 (0.73) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4855925 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31220479 0.74 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2969622 0.73 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL3435978 0.72 PDK4 (0.51) ALDH1A1LMNAMAPTMETPDK4

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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 — — US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 — — EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 — — US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 — — 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 (3 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 ALDH1A1 305/4885LMNA 3467/4885MAPT 4564/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ALDH1A1 309/4885LMNA 3212/4885MAPT 4459/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ALDH1A1 617/4885LMNA 4801/4885MAPT 2706/4885

“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.