SCHEMBL3982387

SCHEMBL3982387

O=C(NCC1CCNC1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM3 P20309 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
HTR2C P28335 1/20 0.47
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
HTT P42858 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
ITGAV P06756 1/20 0.46

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
SCHEMBL12723408 1.00 CCKBR (0.50) CCKBRALDH1A1LMNASMN1; SMN2CHRM3
Pivalate SCHEMBL28284292 0.93 ITGB3 (0.50) CCKBRALDH1A1LMNASMN1; SMN2CHRM3
Trifluoroacetic Acid SCHEMBL13739250 0.93 F2 (0.51) CCKBRALDH1A1LMNASMN1; SMN2CHRM3
SCHEMBL12722614 0.92 ALDH1A1 (0.50) CCKBRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL12722664 0.92 ALDH1A1 (0.50) CCKBRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5338500 0.92 ALDH1A1 (0.50) CCKBRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3947594 0.92 BRD4 (0.52) CCKBRALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6307871 0.91 ALDH1A1 (0.49) CCKBRALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3947595 0.91 BRD4 (0.51) CCKBRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL632994 0.90 LMNA (0.55) CCKBRALDH1A1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 CN disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 US disclosed
WO-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
WO-2017211759-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
EP-2916833-A1 METHODS OF TREATING LIVER DISEASES Zafgen, Inc. (US) 2015-09-16 EP disclosed
WO-2014071368-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2014-05-08 WO disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
EP-2118092-A1 NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 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 (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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 CCKBR 91/4885ALDH1A1 830/4885LMNA 1441/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CCKBR 3130/4885ALDH1A1 4199/4885LMNA 3976/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CCKBR 68/4885ALDH1A1 784/4885LMNA 1729/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CCKBR 3130/4885ALDH1A1 4199/4885LMNA 3976/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CCKBR 3469/4885ALDH1A1 3914/4885LMNA 3985/4885

“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.