SCHEMBL17844943

SCHEMBL17844943

O=c1cc(NCCCN2CCNCC2)c2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.54

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
SCHEMBL17847646 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19753625 0.81 DRD2 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL17847532 0.80 DRD2 (0.55) ALDH1A1
SCHEMBL17865162 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL19743156 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29046355 0.79 MAOB (0.69)
SCHEMBL29794227 0.79 MAOB (0.69)
SCHEMBL10032000 0.78 RECQL (0.82) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17861319 0.78 BRD4 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17844897 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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 (4 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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP ALDH1A1 3437/4885CYP1A2 2782/4885CYP3A4 1704/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP ALDH1A1 3437/4885CYP1A2 2782/4885CYP3A4 1704/4885
US-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC ALDH1A1 3914/4885CYP1A2 3385/4885CYP3A4 2153/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC ALDH1A1 3914/4885CYP1A2 3385/4885CYP3A4 2153/4885

“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.