SCHEMBL4551336

SCHEMBL4551336

CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL3147738 0.99 ALDH1A1 (0.65) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL3147066 0.89 KMT2A (0.67) ALDH1A1L3MBTL1PKMMEN1KMT2A
SCHEMBL4409637 0.81 RAD52 (0.65) ALDH1A1LMNAL3MBTL1PKMRAB9A
SCHEMBL6815807 0.80 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL6819275 0.80 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL14568574 0.80 RAD52 (0.67) ALDH1A1LMNAL3MBTL1PKMRAB9A
SCHEMBL16097376 0.79 MEN1 (0.51) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL2747272 0.79 MEN1 (0.48) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL6819578 0.79 ALDH1A1 (0.69) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL4194331 0.78 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1PKMMEN1

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
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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 (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-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 ALDH1A1 58/4885LMNA 3321/4885CYP1A2 41/4885

“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.