Sugi Predict

Sugi Predict / Compounds / SCHEMBL4254205

SCHEMBL4254205

SCHEMBL4254205

CC(C)(C)C1CC=C(c2cccc([N+](=O)[O-])c2N2CCNCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ MAPT P10636 8/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33

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 0.85 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTCYP1A2
SCHEMBL4249894 0.83 ALDH1A1 (0.38) ALDH1A1LMNAHTR7CYP1A2CYP2C9
SCHEMBL4256499 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL4855925 0.80 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL5336038 0.70 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2MAPTCYP1A2
SCHEMBL4857970 0.69 MAPT (0.50) ALDH1A1LMNASMN1; SMN2MAPTCYP2C9
SCHEMBL4849791 0.68 MAPT (0.40) ALDH1A1LMNAMAPTCYP1A2CYP2C9
SCHEMBL14804530 0.67 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP1A2CYP2C9
SCHEMBL616143 0.67 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTCYP1A2
SCHEMBL4782133 0.67 MAPT (0.56) ALDH1A1LMNASMN1; SMN2HTR7MAPT

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 3467/4885SMN1; SMN2 4289/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ALDH1A1 309/4885LMNA 3212/4885SMN1; SMN2 3987/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ALDH1A1 617/4885LMNA 4801/4885SMN1; SMN2 1754/4885

“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.