SCHEMBL6989585

SCHEMBL6989585

CC(C)(Cc1ccccc1)C(NC(=O)c1ccccc1)Nc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNJ11 Q14654 1/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
HPGD P15428 1/20 0.36
CXCR2 P25025 1/20 0.35
NNMT P40261 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
SCHEMBL6988220 0.95 NPC1 (0.45) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6989095 0.92 KMT2A (0.50) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6991631 0.84 MAPT (0.38) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6987485 0.83 HPGD (0.38) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6985970 0.83 NPC1 (0.42) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6986808 0.82 RAB9A (0.51) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6987656 0.82 MAPKAPK2 (0.49) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL6984729 0.80 ALDH1A1 (0.42) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL6991614 0.80 ABCC9 (0.52) LMNASMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL6983246 0.80 KMT2A (0.44) LMNANPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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 (1 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 LMNA 605/4885NPC1 735/4885RAB9A 3503/4885

“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.