SCHEMBL1712396

SCHEMBL1712396

COc1ccc2ncc(=O)n(C3CCNCC3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.57
HSD17B10 Q99714 6/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PIK3CA P42336 6/20 0.53
MTOR P42345 6/20 0.53
ATM Q13315 1/20 0.53
ATR Q13535 1/20 0.53
USP2 O75604 6/20 0.53
CYP2C9 P11712 6/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 4/20 0.53
CASP1 P29466 5/20 0.51
CASP7 P55210 5/20 0.51
TSHR P16473 3/20 0.51
CLK4 Q9HAZ1 4/20 0.48
GLA P06280 1/20 0.46
CYP11B2 P19099 1/20 0.45
CDK4 P11802 1/20 0.43

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
Hydrochloric Acid SCHEMBL29417830 0.99 CYP1A2 (0.56) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19691667 0.93 CYP1A2 (0.55) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3408003 0.90 CYP1A2 (0.51) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19707057 0.90 CYP1A2 (0.57) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19691758 0.88 CYP1A2 (0.58) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19691761 0.88 CYP1A2 (0.58) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19706843 0.84 CYP1A2 (0.44) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19692444 0.82 CYP1A2 (0.52) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL19691748 0.82 CYP1A2 (0.52) CYP1A2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL336617 0.81 CYP1A2 (0.48) CYP1A2HSD17B10ALDH1A1MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
EP-3468975-B1 NEW ANTIBACTERIAL COMPOUNDS ACRAF (IT) 2020-04-01 EP 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-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-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
EP-3468975-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2019-04-17 EP 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-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
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-2344485-B1 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-22 EP disclosed
US-8507478-B2 Oxazolidinyl antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-13 US disclosed
US-20110201595-A1 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-18 US disclosed
EP-2344485-A2 OXAZOLIDINYL ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041218-A2 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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 (6 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 CYP1A2 1035/4885HSD17B10 1695/4885ALDH1A1 830/4885
US-20110201595-A1 OXAZOLIDINYL ANTIBIOTICS OXA1L, UBE2D3, PYM1 CYP1A2 852/4885HSD17B10 2118/4885ALDH1A1 3179/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885HSD17B10 2264/4885ALDH1A1 4199/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CYP1A2 584/4885HSD17B10 1703/4885ALDH1A1 784/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885HSD17B10 2264/4885ALDH1A1 4199/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CYP1A2 3385/4885HSD17B10 1746/4885ALDH1A1 3914/4885

“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.