SCHEMBL2952081

SCHEMBL2952081

O=C(O)c1ccc(-c2cccc3cccnc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.60
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
PDE4A P27815 5/20 0.52
CAMKK2 Q96RR4 1/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
MMP9 P14780 2/20 0.50
ENPP1 P22413 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 1/20 0.48
PDE4B Q07343 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL12641874 0.86 MMP9 (0.49) FABP1KDM4ENPC1RAB9AMMP9
SCHEMBL6070469 0.86 MKNK2 (0.65) FABP1KDM4EPDE4ACAMKK2PDE4C
SCHEMBL420673 0.84 PDE4A (0.54) FABP1PDE4APDE4CPDE4DLMNA
SCHEMBL12582088 0.82 MMP9 (0.47) FABP1KDM4ENPC1RAB9AMMP9
SCHEMBL22641313 0.82 MAPT (0.49) FABP1KDM4ENPC1RAB9APDE4A
SCHEMBL2951217 0.82 ALDH1A1 (0.58) KDM4ENPC1GAARAB9AMMP9
SCHEMBL28310954 0.81 PDE4A (0.56) FABP1KDM4ENPC1GAARAB9A
SCHEMBL12074320 0.81 MMP2 (0.56) FABP1KDM4EMMP9ENPP1LMNA
SCHEMBL30592746 0.81 MMP2 (0.56) FABP1KDM4EMMP9ENPP1LMNA
SCHEMBL4148271 0.81 MMP2 (0.60) KDM4ENPC1RAB9APDE4AMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039962-B Nitrogen-containing compound, application thereof and organic electroluminescent device using nitrogen-containing compound 陕西莱特光电材料股份有限公司 2020-11-27 CN disclosed
CN-111039962-A Nitrogen-containing compound, application thereof and organic electroluminescent device using nitrogen-containing compound 陕西莱特光电材料股份有限公司 2020-04-21 CN disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FABP1 295/4885KDM4E 1911/4885NPC1 2540/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FABP1 222/4885KDM4E 1563/4885NPC1 2435/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 FABP1 295/4885KDM4E 1911/4885NPC1 2540/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR FABP1 341/4885KDM4E 1143/4885NPC1 3122/4885

“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.