SCHEMBL3064664

SCHEMBL3064664

O=C(O)c1cc2cccc3c2n1CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 1.00
SLC9A1 P19634 1/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
BCL2 P10415 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
AHR P35869 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR2 P41597 1/20 0.39
FDPS P14324 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HTT P42858 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL2347010 0.91 MCL1 (0.83) MCL1SLC9A1ALDH1A1KDM4ELMNA
SCHEMBL8558281 0.87 MCL1 (0.76) MCL1SLC9A1HPGDALDH1A1HSD17B10
SCHEMBL12168237 0.81 MCL1 (0.68) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL7958074 0.80 MCL1 (0.66) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL27491189 0.77 MCL1 (0.62) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL3060161 0.76 MCL1 (0.60) MCL1HPGDALDH1A1KDM4ELMNA
SCHEMBL9811408 0.76 MCL1 (0.60) MCL1HPGDALDH1A1HSD17B10USP2
SCHEMBL7956111 0.74 MCL1 (0.58) MCL1SLC9A1HPGDALDH1A1HSD17B10
SCHEMBL7956114 0.74 MCL1 (0.57) MCL1SLC9A1HPGDALDH1A1HSD17B10
SCHEMBL17520237 0.73 HSD17B10 (0.57) MCL1HPGDALDH1A1HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 US disclosed
WO-2023043816-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS ALIGOS THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO disclosed
EP-0731091-B1 2-OXOINDOLINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS TANABE SEIYAKU CO (JP) 2002-01-02 EP disclosed
US-5807883-A GASTROINTESTINAL DISORDERS; PANCREATITIS TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
EP-0731091-A1 2-OXOINDOLINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 1996-09-11 EP 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 MCL1 274/4885SLC9A1 1397/4885HPGD 527/4885
US-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 MCL1 1723/4885SLC9A1 1101/4885HPGD 4005/4885

“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.