SCHEMBL3676142

SCHEMBL3676142

O=Cc1c[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.58
▸ PIM1 P11309 3/20 0.50
▸ PIM3 Q86V86 3/20 0.50
▸ IMPDH2 P12268 1/20 0.47
▸ PIM2 Q9P1W9 2/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL29952428 0.78 CYP2A6 (0.70) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL29935968 0.77 CYP2A6 (0.64) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL1092485 0.77 CYP2A6 (0.64) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL248842 0.75 CYP2A6 (0.66) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL29408411 0.75 CYP2A6 (0.66) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL27414727 0.75 CTNNB1 (0.46) CYP2A6PIM1PIM3CTNNB1WNT3A
SCHEMBL644301 0.74 CYP2A6 (1.00) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL1337252 0.74 CYP2A6 (0.64) CYP2A6PIM1PIM3IMPDH2PIM2
SCHEMBL29954276 0.74 CYP2A6 (0.64) CYP2A6IMPDH2HTR1DHTR1BERN1
SCHEMBL6863442 0.74 CYP2A6 (0.64) CYP2A6PIM1PIM3IMPDH2PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596089-B1 ANTIBACTERIAL COMPOUNDS UNIV NOTTINGHAM (GB) 2023-12-06 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 — — US disclosed
US-11192888-B2 Antibacterial compounds THE UNIVERSITY OF NOTTINGHAM (GB) 2021-12-07 — — US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 — — US disclosed
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS THE UNIVERSITY OF NOTTINGHAM (GB) 2020-06-25 — — US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US disclosed
CN-101778850-A Heteroaryl amide analogs LUNDBECK & CO AS H 2010-07-14 — — CN disclosed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — 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 (3 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-11192888-B2 Antibacterial compounds CFTR, CLPP, MRPL21 CYP2A6 2010/4885PIM1 636/4885PIM3 1118/4885
US-20200199118-A1 ANTIBACTERIAL COMPOUNDS CFTR, CLPP, MRPL21 CYP2A6 2010/4885PIM1 636/4885PIM3 1118/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A CYP2A6 727/4885PIM1 4700/4885PIM3 4558/4885

“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.

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