SCHEMBL3208926

SCHEMBL3208926

Fc1cc(Br)cc(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
AHR P35869 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 2/20 0.31
DGAT1 O75907 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31619139 1.00 CYP3A4 (0.38) CYP3A4TSHRTDP1GABRA1GABRB1
Boric Acid SCHEMBL2461263 0.91 CYP3A4 (0.37) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL585514 0.86 CHRM5 (0.33) CYP3A4TSHRTDP1KDM1AKDM1B
SCHEMBL25259748 0.80 TDP1 (0.47) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL29428923 0.79 MAPT (0.37) KDM1AKDM1BNPC1ALDH1A1GAA
SCHEMBL29363756 0.79 PDK2 (0.37) TSHRKDM1AKDM1BNPC1ALDH1A1
SCHEMBL20303393 0.79 MAPT (0.37) KDM1AKDM1BNPC1ALDH1A1GAA
SCHEMBL414371 0.79 NMT1 (0.38) CYP3A4TSHRTDP1KDM1AKDM1B
SCHEMBL263907 0.79 PDK2 (0.37) TSHRKDM1AKDM1BNPC1ALDH1A1
SCHEMBL21050751 0.75 GAA (0.46) CYP3A4KDM1AKDM1BALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980040-B Boron-containing asymmetric spiro compound and application thereof in organic electroluminescent device 吉林大学 2024-02-27 CN disclosed
US-11581493-B2 Organic electroluminescence device and condensed polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-14 US disclosed
CN-113980040-A Boron-containing asymmetric spiro compound and application thereof in organic electroluminescent device 吉林大学 2022-01-28 CN disclosed
US-20210175431-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND CONDENSED POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
US-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-10-24 US disclosed
EP-3404028-A1 METHODS OF MAKING ANTIMICROBIAL COMPOUNDS Melinta Therapeutics, Inc. (US) 2018-11-21 EP disclosed
EP-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 US disclosed
EP-2697229-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2014-02-19 EP disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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 (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-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 CYP3A4 2749/4885TSHR 1735/4885TDP1 3293/4885
US-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CYP3A4 1470/4885TSHR 4385/4885TDP1 2438/4885
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CYP3A4 1470/4885TSHR 4385/4885TDP1 2438/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 CYP3A4 2342/4885TSHR 1773/4885TDP1 688/4885

“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.