SCHEMBL3552074

SCHEMBL3552074

CCOC(=O)CCNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.67
DRD3 P35462 1/20 0.67
HTR2C P28335 1/20 0.62
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.60
AKR1C3 P42330 1/20 0.58
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL1827611 0.84 HDAC1 (0.60) DRD2DRD3KDM4EALDH1A1HSD17B10
SCHEMBL13753861 0.83 DRD2 (0.84) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL10674230 0.81 KDM4E (0.70) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL74104 0.80 DRD2 (1.00) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL5161463 0.80 IDO1 (0.55) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6632042 0.80 KDM4E (0.71) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL20267113 0.80 KDM4E (0.72) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL9397179 0.80 DRD2 (0.74) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL27550290 0.80 AKR1C3 (0.86) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL7374142 0.79 HDAC1 (0.72) DRD2DRD3HTR2CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732436-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-06-08 US disclosed
US-7601710-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-10-13 US disclosed
US-7601710-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-10-13 US disclosed
US-7385055-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-10 US disclosed
US-7335769-B2 Preparation of hymenialdsine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-02-26 US disclosed
US-7193079-B1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-20 US disclosed
US-7193079-B1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-20 US disclosed
US-7193079-B1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-20 US disclosed
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2007-03-01 US disclosed
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2007-03-01 US disclosed
US-20060293305-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-28 US disclosed
US-20060287296-A1 Preparation of hymenialdsine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-21 US disclosed
US-20060276451-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-07 US disclosed
WO-2004103958-A2 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2004-12-02 WO disclosed
US-20040235820-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-11-25 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 (5 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-20060287296-A1 Preparation of hymenialdsine derivatives and use thereof IDO2, CHEK2, NFKBIA DRD2 1635/4885DRD3 3570/4885HTR2C 419/4885
US-20040235820-A1 Preparation of hymenialdisine derivatives and use thereof NFKBIA, IKBKG, GSK3B DRD2 2244/4885DRD3 3693/4885HTR2C 411/4885
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF IDO2, CHEK2, NFKBIA DRD2 2069/4885DRD3 3921/4885HTR2C 415/4885
US-20060276451-A1 Preparation of hymenialdisine derivatives and use thereof IDO2, CHEK2, NFKBIA DRD2 2069/4885DRD3 3921/4885HTR2C 415/4885
US-20060293305-A1 Preparation of hymenialdisine derivatives and use thereof IDO2, CHEK2, NFKBIA DRD2 2069/4885DRD3 3921/4885HTR2C 415/4885

“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.