SCHEMBL4276098

SCHEMBL4276098

C=CN(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)C(C)(C)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 16/20 0.54
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K1 Q02750 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
SCHEMBL4284727 0.80 CYP26A1 (0.64) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL15550835 0.71 CYP26A1 (0.50) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL13573956 0.70 CYP26A1 (1.00) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4284732 0.69 CYP26A1 (0.64) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL15798647 0.69 CYP26A1 (0.48) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL16344079 0.67 ALDH1A1 (0.68) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL29199052 0.66 SIRT2 (0.68) CYP3A4SIRT2SIRT1SIRT3ALDH1A1
SCHEMBL29706072 0.65 ALDH1A1 (0.66) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL15505827 0.65 ALDH1A1 (0.66) CYP26A1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL11580703 0.65 ALDH1A1 (0.56) CYP3A4CYP1A2CYP2C19SIRT2SIRT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160038490-A1 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2016-02-11 — — US claimed
WO-2014093960-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2014-06-19 — — WO claimed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 — — WO claimed
US-20160038490-A1 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2016-02-11 — — US disclosed
US-20150164907-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2015-06-18 — — US disclosed
WO-2014093960-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ANGION BIOMEDICA CORP. (US) 2014-06-19 — — WO disclosed
WO-2014015137-A2 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES ANGION BIOMEDICA CORP. (US) 2014-01-23 — — WO disclosed
WO-2009153566-A1 CYP26 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-23 — — 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 (2 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-20160038490-A1 COMPOSITIONS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES DUSP6, CYP26B1, CYP26A1 CYP26A1 3/4885CYP3A4 458/4885CYP2D6 9/4885
US-20150164907-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE CDK6, DUSP6, CYP26B1 CYP26A1 11/4885CYP3A4 1535/4885CYP2D6 330/4885

“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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