SCHEMBL17844985

SCHEMBL17844985

Fc1ccc2cc(F)nc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 1/20 0.34
TYMS P04818 3/20 0.33
AHR P35869 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17844908 0.80 BACE1 (0.44) CYP1A2CYP2A6KDM4ECYP3A4HPGD
SCHEMBL19753775 0.80 CYP1A2 (0.39) CYP1A2CYP2A6KDM4EHPGDBACE1
SCHEMBL305348 0.77 CYP1A2 (0.40) CYP1A2CYP2A6KDM4ECYP3A4HPGD
SCHEMBL17844961 0.76 CYP1A2 (0.41) CYP1A2CYP2A6KDM4EMEN1KMT2A
SCHEMBL17861482 0.75 MPO (0.42) CYP1A2CYP2A6BACE1TYMSAHR
SCHEMBL28516934 0.73 TRPA1 (0.41) CYP1A2CYP2A6CYP3A4CYP2C19BACE1
SCHEMBL17861456 0.69 HRH4 (0.49) CYP1A2CYP3A4CYP2C19
SCHEMBL30377849 0.69 CYP1A2 (0.52) CYP1A2CYP2A6KDM4EHTTBACE1
Hydrochloric Acid SCHEMBL17845014 0.68 HRH4 (0.48) CYP1A2CYP3A4CYP2C19
SCHEMBL26696146 0.66 CDK2 (0.37) CYP1A2CYP2A6KDM4ECYP3A4HPGD

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 9 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-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-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
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
CN-107108569-A Antibacterial compounds with broad spectrum activity 方济各安吉利克化学联合股份有限公司 2017-08-29 CN 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

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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP CYP1A2 2782/4885CYP2A6 2155/4885KDM4E 3915/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP CYP1A2 2782/4885CYP2A6 2155/4885KDM4E 3915/4885

“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.